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Enter Data
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM50250068 (CHEMBL501240 | PACAP(1-27) | PACAP-27 | [Glu3]PACA...) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:27.27,12.17,4.4,49.50,50.53,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,wD:21.23,2.2,38.38,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,(4.62,.39,;4.62,-1.15,;5.96,-1.91,;7.29,-1.15,;5.96,-3.45,;4.62,-4.22,;3.28,-3.45,;3.28,-1.91,;1.95,-4.22,;.62,-3.45,;-.71,-4.22,;-.71,-5.76,;-2.04,-3.45,;-2.04,-1.91,;-.71,-1.15,;-.71,.39,;-2.04,1.16,;.62,1.16,;-3.38,-4.22,;-4.72,-3.45,;-4.72,-1.91,;-6.05,-4.22,;-6.05,-5.76,;-4.72,-6.54,;-7.38,-3.45,;-8.71,-4.22,;-8.71,-5.76,;-10.04,-3.45,;-11.38,-4.22,;-10.04,-1.91,;-8.71,-1.15,;-7.3,-1.78,;-6.27,-.62,;-7.04,.71,;-8.55,.39,;7.29,-4.22,;7.29,-5.76,;8.62,-3.45,;9.95,-4.22,;9.95,-5.76,;11.28,-6.54,;12.63,-5.76,;13.96,-6.54,;13.96,-8.08,;12.63,-8.85,;11.28,-8.08,;11.28,-3.45,;11.28,-1.91,;12.62,-4.22,;13.95,-3.45,;13.95,-1.91,;12.62,-1.15,;15.29,-1.15,;15.29,-4.22,;15.29,-5.76,;16.62,-3.45,;17.95,-4.22,;17.95,-5.76,;19.28,-6.54,;20.61,-5.76,;19.28,-8.07,;19.28,-3.45,;19.28,-1.91,;20.61,-4.22,;21.95,-3.45,;21.95,-1.91,;23.29,-1.15,;23.29,-4.22,;23.29,-5.76,;24.62,-3.45,;25.95,-4.22,;25.95,-5.76,;27.28,-6.54,;28.62,-5.76,;29.96,-6.54,;29.96,-8.08,;31.29,-8.85,;28.62,-8.85,;27.28,-8.08,;27.28,-3.45,;27.28,-1.91,;28.61,-4.22,;29.95,-3.45,;29.95,-1.91,;31.29,-1.15,;31.29,-4.22,;31.29,-5.76,;32.62,-3.45,;33.95,-4.22,;33.95,-5.76,;35.28,-6.54,;35.28,-8.07,;36.61,-8.85,;36.61,-10.39,;35.28,-11.15,;37.94,-11.15,;35.28,-3.45,;35.28,-1.91,;36.61,-4.22,;37.94,-3.45,;37.94,-1.91,;39.29,-1.15,;40.62,-1.91,;41.96,-1.15,;41.96,.39,;43.29,1.17,;40.62,1.17,;39.29,.39,;39.29,-4.22,;39.29,-5.76,;40.62,-3.45,;41.95,-4.22,;41.95,-5.76,;43.28,-6.54,;43.28,-8.07,;44.61,-8.85,;44.61,-10.39,;43.28,-11.15,;45.94,-11.15,;43.28,-3.45,;43.28,-1.91,;44.61,-4.22,;45.94,-3.45,;45.94,-1.91,;47.28,-1.15,;47.28,.39,;48.62,1.16,;48.62,2.7,;47.28,-4.22,;47.28,-5.76,;48.62,-3.45,;49.95,-4.22,;49.95,-5.76,;51.28,-6.54,;51.28,-8.07,;49.95,-8.85,;52.61,-8.85,;51.28,-3.45,;51.28,-1.91,;52.61,-4.22,;53.94,-3.45,;53.94,-1.91,;55.28,-1.15,;55.28,.39,;56.62,1.16,;55.28,-4.22,;55.28,-5.76,;56.62,-3.45,;57.95,-4.22,;57.95,-5.76,;59.28,-3.45,;59.28,-1.91,;60.61,-4.22,;61.94,-3.45,;61.94,-1.91,;63.27,-1.15,;60.61,-1.15,;63.27,-4.22,;63.27,-5.76,;64.61,-3.45,;65.95,-4.22,;65.95,-5.76,;67.28,-6.54,;67.28,-8.07,;68.61,-8.85,;68.61,-10.39,;67.28,-3.45,;67.28,-1.91,;68.61,-4.22,;69.94,-3.45,;69.94,-1.91,;71.27,-1.15,;71.27,.39,;72.61,1.16,;72.61,2.7,;71.27,-4.22,;71.27,-5.76,;72.61,-3.45,;73.95,-4.22,;73.95,-5.76,;75.28,-6.54,;76.61,-5.76,;77.95,-6.54,;77.95,-8.08,;79.28,-8.85,;76.61,-8.85,;75.28,-8.08,;75.28,-3.45,;75.28,-1.91,;76.61,-4.22,;77.94,-3.45,;77.94,-1.91,;79.27,-1.15,;79.27,.39,;80.61,-1.91,;79.27,-4.22,;79.27,-5.76,;80.61,-3.45,;81.95,-4.22,;81.95,-5.76,;83.28,-3.45,;83.28,-1.91,;84.61,-4.22,;85.94,-3.45,;85.94,-1.91,;87.27,-4.22,;87.27,-5.76,;88.61,-3.45,;89.95,-4.22,;89.95,-5.76,;91.28,-6.54,;88.61,-6.54,;91.28,-3.45,;91.28,-1.91,;92.61,-4.22,;93.94,-3.45,;93.94,-1.91,;95.27,-1.15,;95.27,.39,;96.6,-1.91,;95.27,-4.22,;96.6,-3.45,;95.27,-5.76,)| Show InChI InChI=1S/C143H226N40O39S/c1-16-76(10)114(180-109(192)67-157-121(202)95(48-50-110(193)194)166-135(216)105(68-184)177-120(201)89(147)64-85-66-154-71-158-85)140(221)175-103(60-81-28-18-17-19-29-81)134(215)183-115(80(14)187)141(222)176-104(65-111(195)196)133(214)179-107(70-186)137(218)174-102(63-84-39-45-88(190)46-40-84)132(213)178-106(69-185)136(217)165-94(34-27-56-156-143(152)153)127(208)172-100(61-82-35-41-86(188)42-36-82)130(211)164-93(33-26-55-155-142(150)151)125(206)162-90(30-20-23-52-144)123(204)167-96(47-49-108(148)191)128(209)168-97(51-57-223-15)122(203)160-79(13)119(200)181-112(74(6)7)138(219)169-92(32-22-25-54-146)124(205)163-91(31-21-24-53-145)126(207)173-101(62-83-37-43-87(189)44-38-83)131(212)171-99(59-73(4)5)129(210)161-77(11)117(198)159-78(12)118(199)182-113(75(8)9)139(220)170-98(116(149)197)58-72(2)3/h17-19,28-29,35-46,66,71-80,89-107,112-115,184-190H,16,20-27,30-34,47-65,67-70,144-147H2,1-15H3,(H2,148,191)(H2,149,197)(H,154,158)(H,157,202)(H,159,198)(H,160,203)(H,161,210)(H,162,206)(H,163,205)(H,164,211)(H,165,217)(H,166,216)(H,167,204)(H,168,209)(H,169,219)(H,170,220)(H,171,212)(H,172,208)(H,173,207)(H,174,218)(H,175,221)(H,176,222)(H,177,201)(H,178,213)(H,179,214)(H,180,192)(H,181,200)(H,182,199)(H,183,215)(H,193,194)(H,195,196)(H4,150,151,155)(H4,152,153,156)/t76-,77-,78-,79-,80+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,112-,113-,114-,115-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Eur J Pharmacol 288: 259-67 (1995) Article DOI: 10.1016/0922-4106(95)90037-3 BindingDB Entry DOI: 10.7270/Q2VM49S4 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM50250019 (CHEMBL524658 | PACAP | PACAP(1-38) | PACAP-38 | PA...) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C203H331N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,267-274H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Eur J Pharmacol 288: 259-67 (1995) Article DOI: 10.1016/0922-4106(95)90037-3 BindingDB Entry DOI: 10.7270/Q2VM49S4 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82448 ([Ala2]PACAP(1-27)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:48.49,63.64,81.83,98.100,121.124,139.142,152.155,168.171,189.193,202.207,214.218,49.52,4.4,12.17,26.26,wD:37.37,55.56,69.70,87.89,110.113,147.151,177.180,197.202,207.211,130.133,159.162,21.21,(-14.46,-50.6,;-14.44,-52.33,;-15.67,-53.24,;-17,-52.47,;-15.67,-54.78,;-17,-55.55,;-18.34,-54.78,;-18.34,-53.24,;-19.43,-55.87,;-20.76,-55.1,;-22.14,-55.94,;-22.14,-57.48,;-23.47,-55.17,;-23.47,-53.63,;-24.56,-52.54,;-24.56,-51,;-25.89,-50.23,;-23.23,-50.23,;-24.56,-56.25,;-25.89,-55.48,;-25.96,-54.17,;-27.23,-56.25,;-27.23,-57.79,;-28.56,-55.48,;-29.89,-56.25,;-29.89,-57.79,;-31.23,-55.48,;-32.54,-56.66,;-31.23,-53.94,;-32,-52.61,;-32,-51.07,;-34.67,-51.07,;-34.67,-52.61,;-33.33,-53.38,;-14.34,-55.55,;-14.41,-57.12,;-13,-54.78,;-11.67,-55.55,;-11.67,-57.09,;-10.34,-57.86,;-9,-57.09,;-7.66,-57.86,;-7.66,-59.41,;-9,-60.18,;-10.34,-59.41,;-10.34,-54.78,;-10.34,-53.24,;-9,-55.55,;-7.67,-54.78,;-7.67,-53.24,;-9,-52.47,;-6.33,-52.47,;-6.33,-55.55,;-6.33,-57.09,;-5,-54.78,;-3.67,-55.55,;-3.67,-57.09,;-2.33,-57.86,;-1,-57.09,;-2.33,-59.4,;-2.33,-54.78,;-2.33,-53.24,;-1,-55.55,;.33,-54.78,;.33,-53.24,;1.67,-52.47,;1.67,-55.55,;1.67,-57.09,;3,-54.78,;4.34,-55.55,;4.34,-57.09,;5.67,-57.86,;7.01,-57.09,;8.35,-57.86,;8.35,-59.41,;9.68,-60.18,;7.01,-60.18,;5.67,-59.41,;5.67,-54.78,;5.67,-53.24,;7,-55.55,;8.34,-54.78,;8.34,-53.24,;9.67,-52.47,;9.67,-55.55,;9.67,-57.09,;11,-54.78,;12.34,-55.55,;12.34,-57.09,;13.67,-57.86,;13.67,-59.4,;15,-60.17,;15,-61.71,;13.67,-62.48,;16.34,-62.48,;13.67,-54.78,;13.67,-53.24,;15,-55.55,;16.34,-54.78,;16.34,-53.24,;17.67,-52.47,;19.01,-53.25,;20.35,-52.47,;20.35,-50.93,;21.68,-50.16,;19.01,-50.16,;17.67,-50.93,;17.67,-55.55,;17.67,-57.09,;19.01,-54.78,;20.34,-55.55,;20.34,-57.09,;21.67,-57.86,;21.67,-59.4,;23.01,-60.17,;23.01,-61.71,;21.67,-62.48,;24.34,-62.48,;21.67,-54.78,;21.67,-53.24,;23.01,-55.55,;24.34,-54.78,;24.34,-53.24,;25.67,-52.47,;25.67,-50.93,;27.01,-50.16,;27.01,-48.62,;25.67,-55.55,;25.67,-57.09,;27.01,-54.78,;28.34,-55.55,;28.34,-57.09,;29.67,-57.86,;29.67,-59.4,;28.34,-60.17,;31.01,-60.17,;29.67,-54.78,;29.67,-53.24,;31.01,-55.55,;32.34,-54.78,;32.34,-53.24,;33.68,-52.47,;33.68,-50.93,;35.01,-50.16,;33.68,-55.55,;33.68,-57.09,;35.01,-54.78,;36.34,-55.55,;36.34,-57.09,;37.68,-54.78,;37.68,-53.24,;39.01,-55.55,;40.34,-54.78,;40.34,-53.24,;41.68,-52.47,;39.01,-52.47,;41.68,-55.55,;41.68,-57.09,;43.01,-54.78,;44.34,-55.55,;44.34,-57.09,;45.68,-57.86,;45.68,-59.4,;47.01,-60.17,;47.01,-61.71,;45.68,-54.78,;45.68,-53.24,;47.01,-55.55,;48.35,-54.78,;48.35,-53.24,;49.68,-52.47,;49.68,-50.93,;51.01,-50.16,;51.01,-48.62,;49.68,-55.55,;49.68,-57.09,;51.01,-54.78,;52.35,-55.55,;52.35,-57.09,;53.68,-57.86,;55.02,-57.09,;56.36,-57.86,;56.36,-59.41,;57.69,-60.18,;55.02,-60.18,;53.68,-59.41,;53.68,-54.78,;53.68,-53.24,;55.01,-55.55,;56.35,-54.78,;56.35,-53.24,;57.68,-52.47,;57.68,-50.93,;59.01,-53.24,;57.68,-55.55,;57.68,-57.09,;59.01,-54.78,;60.35,-55.55,;60.35,-57.09,;61.68,-54.78,;61.68,-53.24,;63.02,-55.55,;64.35,-54.78,;64.35,-53.24,;65.68,-55.55,;65.68,-57.09,;67.02,-54.78,;68.35,-55.55,;68.35,-57.09,;69.68,-57.86,;67.02,-57.86,;69.68,-54.78,;69.68,-53.24,;71.02,-55.55,;72.35,-54.78,;72.35,-53.24,;73.68,-52.47,;73.68,-50.93,;75.02,-53.24,;73.68,-55.55,;75.02,-54.78,;73.68,-57.09,)| Show InChI InChI=1S/C143H226N40O38S/c1-17-76(10)114(180-109(191)68-157-122(202)96(49-51-110(192)193)163-118(198)78(12)160-121(201)90(147)65-86-67-154-71-158-86)140(220)176-104(61-82-29-19-18-20-30-82)135(215)183-115(81(15)186)141(221)177-105(66-111(194)195)134(214)179-107(70-185)137(217)175-103(64-85-40-46-89(189)47-41-85)133(213)178-106(69-184)136(216)167-95(35-28-57-156-143(152)153)128(208)173-101(62-83-36-42-87(187)43-37-83)131(211)166-94(34-27-56-155-142(150)151)126(206)164-91(31-21-24-53-144)124(204)168-97(48-50-108(148)190)129(209)169-98(52-58-222-16)123(203)161-80(14)120(200)181-112(74(6)7)138(218)170-93(33-23-26-55-146)125(205)165-92(32-22-25-54-145)127(207)174-102(63-84-38-44-88(188)45-39-84)132(212)172-100(60-73(4)5)130(210)162-77(11)117(197)159-79(13)119(199)182-113(75(8)9)139(219)171-99(116(149)196)59-72(2)3/h18-20,29-30,36-47,67,71-81,90-107,112-115,184-189H,17,21-28,31-35,48-66,68-70,144-147H2,1-16H3,(H2,148,190)(H2,149,196)(H,154,158)(H,157,202)(H,159,197)(H,160,201)(H,161,203)(H,162,210)(H,163,198)(H,164,206)(H,165,205)(H,166,211)(H,167,216)(H,168,204)(H,169,209)(H,170,218)(H,171,219)(H,172,212)(H,173,208)(H,174,207)(H,175,217)(H,176,220)(H,177,221)(H,178,213)(H,179,214)(H,180,191)(H,181,200)(H,182,199)(H,183,215)(H,192,193)(H,194,195)(H4,150,151,155)(H4,152,153,156)/t76?,77-,78-,79-,80-,81+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,112-,113-,114-,115-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM50250019 (CHEMBL524658 | PACAP | PACAP(1-38) | PACAP-38 | PA...) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C203H331N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,267-274H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM50250023 (CHEMBL500280 | [Ala2]PACAP(1-38) | [Ala2]PACAP38) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C203H331N63O52S/c1-19-109(12)162(262-156(278)100-230-171(290)148(96-157(279)280)250-166(285)111(14)233-169(288)125(211)94-120-98-224-103-231-120)198(317)258-146(89-115-41-21-20-22-42-115)192(311)266-163(114(17)269)199(318)259-149(97-158(281)282)191(310)261-151(102-268)194(313)255-145(93-119-60-68-124(273)69-61-119)189(308)260-150(101-267)193(312)244-135(52-39-84-227-202(220)221)181(300)253-143(91-117-56-64-122(271)65-57-117)187(306)243-133(50-37-82-225-200(216)217)177(296)238-128(45-25-32-77-206)174(293)246-138(71-73-153(213)275)183(302)247-139(74-86-319-18)172(291)234-113(16)168(287)263-159(106(6)7)195(314)248-131(48-28-35-80-209)176(295)239-130(47-27-34-79-208)178(297)254-144(92-118-58-66-123(272)67-59-118)188(307)251-141(88-105(4)5)185(304)235-110(13)165(284)232-112(15)167(286)264-160(107(8)9)197(316)257-140(87-104(2)3)170(289)229-99-155(277)236-127(44-24-31-76-205)173(292)240-134(51-38-83-226-201(218)219)180(299)252-142(90-116-54-62-121(270)63-55-116)186(305)242-129(46-26-33-78-207)175(294)245-137(70-72-152(212)274)182(301)241-136(53-40-85-228-203(222)223)184(303)265-161(108(10)11)196(315)249-132(49-29-36-81-210)179(298)256-147(95-154(214)276)190(309)237-126(164(215)283)43-23-30-75-204/h20-22,41-42,54-69,98,103-114,125-151,159-163,267-273H,19,23-40,43-53,70-97,99-102,204-211H2,1-18H3,(H2,212,274)(H2,213,275)(H2,214,276)(H2,215,283)(H,224,231)(H,229,289)(H,230,290)(H,232,284)(H,233,288)(H,234,291)(H,235,304)(H,236,277)(H,237,309)(H,238,296)(H,239,295)(H,240,292)(H,241,301)(H,242,305)(H,243,306)(H,244,312)(H,245,294)(H,246,293)(H,247,302)(H,248,314)(H,249,315)(H,250,285)(H,251,307)(H,252,299)(H,253,300)(H,254,297)(H,255,313)(H,256,298)(H,257,316)(H,258,317)(H,259,318)(H,260,308)(H,261,310)(H,262,278)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,279,280)(H,281,282)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82447 ([DAla2]PACAP(1-38)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C203H331N63O52S/c1-19-109(12)162(262-156(278)100-230-171(290)148(96-157(279)280)250-166(285)111(14)233-169(288)125(211)94-120-98-224-103-231-120)198(317)258-146(89-115-41-21-20-22-42-115)192(311)266-163(114(17)269)199(318)259-149(97-158(281)282)191(310)261-151(102-268)194(313)255-145(93-119-60-68-124(273)69-61-119)189(308)260-150(101-267)193(312)244-135(52-39-84-227-202(220)221)181(300)253-143(91-117-56-64-122(271)65-57-117)187(306)243-133(50-37-82-225-200(216)217)177(296)238-128(45-25-32-77-206)174(293)246-138(71-73-153(213)275)183(302)247-139(74-86-319-18)172(291)234-113(16)168(287)263-159(106(6)7)195(314)248-131(48-28-35-80-209)176(295)239-130(47-27-34-79-208)178(297)254-144(92-118-58-66-123(272)67-59-118)188(307)251-141(88-105(4)5)185(304)235-110(13)165(284)232-112(15)167(286)264-160(107(8)9)197(316)257-140(87-104(2)3)170(289)229-99-155(277)236-127(44-24-31-76-205)173(292)240-134(51-38-83-226-201(218)219)180(299)252-142(90-116-54-62-121(270)63-55-116)186(305)242-129(46-26-33-78-207)175(294)245-137(70-72-152(212)274)182(301)241-136(53-40-85-228-203(222)223)184(303)265-161(108(10)11)196(315)249-132(49-29-36-81-210)179(298)256-147(95-154(214)276)190(309)237-126(164(215)283)43-23-30-75-204/h20-22,41-42,54-69,98,103-114,125-151,159-163,267-273H,19,23-40,43-53,70-97,99-102,204-211H2,1-18H3,(H2,212,274)(H2,213,275)(H2,214,276)(H2,215,283)(H,224,231)(H,229,289)(H,230,290)(H,232,284)(H,233,288)(H,234,291)(H,235,304)(H,236,277)(H,237,309)(H,238,296)(H,239,295)(H,240,292)(H,241,301)(H,242,305)(H,243,306)(H,244,312)(H,245,294)(H,246,293)(H,247,302)(H,248,314)(H,249,315)(H,250,285)(H,251,307)(H,252,299)(H,253,300)(H,254,297)(H,255,313)(H,256,298)(H,257,316)(H,258,317)(H,259,318)(H,260,308)(H,261,310)(H,262,278)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,279,280)(H,281,282)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109?,110-,111+,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82450 ([AcHis1]PACAP(1-27)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:52.53,67.68,85.87,102.104,125.128,143.146,156.159,172.175,193.197,206.211,218.222,53.56,4.4,12.17,27.34,wD:41.41,59.60,73.74,91.93,114.117,151.155,181.184,201.206,211.215,134.137,163.166,21.23,(-14.46,-50.6,;-14.44,-52.33,;-15.67,-53.24,;-17,-52.47,;-15.67,-54.78,;-17,-55.55,;-18.34,-54.78,;-18.34,-53.24,;-19.43,-55.87,;-20.76,-55.1,;-22.14,-55.94,;-22.14,-57.48,;-23.47,-55.17,;-23.47,-53.63,;-24.56,-52.54,;-24.56,-51,;-25.89,-50.23,;-23.23,-50.23,;-24.56,-56.25,;-25.89,-55.48,;-25.96,-54.17,;-27.23,-56.25,;-27.23,-57.79,;-25.89,-58.56,;-28.56,-55.48,;-29.89,-56.25,;-29.89,-57.79,;-31.23,-55.48,;-31.23,-53.94,;-32,-52.61,;-32,-51.07,;-34.67,-51.07,;-34.67,-52.61,;-33.33,-53.38,;-32.54,-56.66,;-34.03,-56.26,;-34.8,-54.92,;-35.12,-57.35,;-14.34,-55.55,;-14.41,-57.12,;-13,-54.78,;-11.67,-55.55,;-11.67,-57.09,;-10.34,-57.86,;-9,-57.09,;-7.66,-57.86,;-7.66,-59.41,;-9,-60.18,;-10.34,-59.41,;-10.34,-54.78,;-10.34,-53.24,;-9,-55.55,;-7.67,-54.78,;-7.67,-53.24,;-9,-52.47,;-6.33,-52.47,;-6.33,-55.55,;-6.33,-57.09,;-5,-54.78,;-3.67,-55.55,;-3.67,-57.09,;-2.33,-57.86,;-1,-57.09,;-2.33,-59.4,;-2.33,-54.78,;-2.33,-53.24,;-1,-55.55,;.33,-54.78,;.33,-53.24,;1.67,-52.47,;1.67,-55.55,;1.67,-57.09,;3,-54.78,;4.34,-55.55,;4.34,-57.09,;5.67,-57.86,;7.01,-57.09,;8.35,-57.86,;8.35,-59.41,;9.68,-60.18,;7.01,-60.18,;5.67,-59.41,;5.67,-54.78,;5.67,-53.24,;7,-55.55,;8.34,-54.78,;8.34,-53.24,;9.67,-52.47,;9.67,-55.55,;9.67,-57.09,;11,-54.78,;12.34,-55.55,;12.34,-57.09,;13.67,-57.86,;13.67,-59.4,;15,-60.17,;15,-61.71,;13.67,-62.48,;16.34,-62.48,;13.67,-54.78,;13.67,-53.24,;15,-55.55,;16.34,-54.78,;16.34,-53.24,;17.67,-52.47,;19.01,-53.25,;20.35,-52.47,;20.35,-50.93,;21.68,-50.16,;19.01,-50.16,;17.67,-50.93,;17.67,-55.55,;17.67,-57.09,;19.01,-54.78,;20.34,-55.55,;20.34,-57.09,;21.67,-57.86,;21.67,-59.4,;23.01,-60.17,;23.01,-61.71,;21.67,-62.48,;24.34,-62.48,;21.67,-54.78,;21.67,-53.24,;23.01,-55.55,;24.34,-54.78,;24.34,-53.24,;25.67,-52.47,;25.67,-50.93,;27.01,-50.16,;27.01,-48.62,;25.67,-55.55,;25.67,-57.09,;27.01,-54.78,;28.34,-55.55,;28.34,-57.09,;29.67,-57.86,;29.67,-59.4,;28.34,-60.17,;31.01,-60.17,;29.67,-54.78,;29.67,-53.24,;31.01,-55.55,;32.34,-54.78,;32.34,-53.24,;33.68,-52.47,;33.68,-50.93,;35.01,-50.16,;33.68,-55.55,;33.68,-57.09,;35.01,-54.78,;36.34,-55.55,;36.34,-57.09,;37.68,-54.78,;37.68,-53.24,;39.01,-55.55,;40.34,-54.78,;40.34,-53.24,;41.68,-52.47,;39.01,-52.47,;41.68,-55.55,;41.68,-57.09,;43.01,-54.78,;44.34,-55.55,;44.34,-57.09,;45.68,-57.86,;45.68,-59.4,;47.01,-60.17,;47.01,-61.71,;45.68,-54.78,;45.68,-53.24,;47.01,-55.55,;48.35,-54.78,;48.35,-53.24,;49.68,-52.47,;49.68,-50.93,;51.01,-50.16,;51.01,-48.62,;49.68,-55.55,;49.68,-57.09,;51.01,-54.78,;52.35,-55.55,;52.35,-57.09,;53.68,-57.86,;55.02,-57.09,;56.36,-57.86,;56.36,-59.41,;57.69,-60.18,;55.02,-60.18,;53.68,-59.41,;53.68,-54.78,;53.68,-53.24,;55.01,-55.55,;56.35,-54.78,;56.35,-53.24,;57.68,-52.47,;57.68,-50.93,;59.01,-53.24,;57.68,-55.55,;57.68,-57.09,;59.01,-54.78,;60.35,-55.55,;60.35,-57.09,;61.68,-54.78,;61.68,-53.24,;63.02,-55.55,;64.35,-54.78,;64.35,-53.24,;65.68,-55.55,;65.68,-57.09,;67.02,-54.78,;68.35,-55.55,;68.35,-57.09,;69.68,-57.86,;67.02,-57.86,;69.68,-54.78,;69.68,-53.24,;71.02,-55.55,;72.35,-54.78,;72.35,-53.24,;73.68,-52.47,;73.68,-50.93,;75.02,-53.24,;73.68,-55.55,;75.02,-54.78,;73.68,-57.09,)| Show InChI InChI=1S/C145H228N40O40S/c1-17-77(10)116(182-111(195)68-158-122(204)96(49-51-112(196)197)168-138(220)108(70-187)180-134(216)105(163-82(15)190)65-87-67-155-72-159-87)142(224)177-104(61-83-29-19-18-20-30-83)136(218)185-117(81(14)189)143(225)178-106(66-113(198)199)135(217)181-109(71-188)139(221)176-103(64-86-40-46-90(193)47-41-86)133(215)179-107(69-186)137(219)167-95(35-28-57-157-145(153)154)128(210)174-101(62-84-36-42-88(191)43-37-84)131(213)166-94(34-27-56-156-144(151)152)126(208)164-91(31-21-24-53-146)124(206)169-97(48-50-110(149)194)129(211)170-98(52-58-226-16)123(205)161-80(13)121(203)183-114(75(6)7)140(222)171-93(33-23-26-55-148)125(207)165-92(32-22-25-54-147)127(209)175-102(63-85-38-44-89(192)45-39-85)132(214)173-100(60-74(4)5)130(212)162-78(11)119(201)160-79(12)120(202)184-115(76(8)9)141(223)172-99(118(150)200)59-73(2)3/h18-20,29-30,36-47,67,72-81,91-109,114-117,186-189,191-193H,17,21-28,31-35,48-66,68-71,146-148H2,1-16H3,(H2,149,194)(H2,150,200)(H,155,159)(H,158,204)(H,160,201)(H,161,205)(H,162,212)(H,163,190)(H,164,208)(H,165,207)(H,166,213)(H,167,219)(H,168,220)(H,169,206)(H,170,211)(H,171,222)(H,172,223)(H,173,214)(H,174,210)(H,175,209)(H,176,221)(H,177,224)(H,178,225)(H,179,215)(H,180,216)(H,181,217)(H,182,195)(H,183,203)(H,184,202)(H,185,218)(H,196,197)(H,198,199)(H4,151,152,156)(H4,153,154,157)/t77?,78-,79-,80-,81+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,114-,115-,116-,117-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM50250019 (CHEMBL524658 | PACAP | PACAP(1-38) | PACAP-38 | PA...) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C203H331N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,267-274H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georg-August-University Curated by PDSP Ki Database | Eur J Biochem 202: 951-8 (1991) Article DOI: 10.1111/j.1432-1033.1991.tb16455.x BindingDB Entry DOI: 10.7270/Q2PR7TG8 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81535 (CHEMBL525267 | PACAP(6-38)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C182H300N56O45S/c1-95(2)83-128(152(257)207-92-141(249)211-115(40-20-27-72-184)154(259)215-122(47-34-79-204-180(197)198)161(266)226-130(86-105-50-58-109(242)59-51-105)167(272)217-117(42-22-29-74-186)156(261)220-125(66-68-138(191)246)163(268)216-124(49-36-81-206-182(201)202)165(270)237-145(99(9)10)176(281)224-120(45-25-32-77-189)160(265)230-134(90-140(193)248)171(276)212-114(147(194)252)39-19-26-71-183)231-177(282)144(98(7)8)236-149(254)101(12)208-148(253)100(11)210-166(271)129(84-96(3)4)225-169(274)132(88-107-54-62-111(244)63-55-107)228-159(264)118(43-23-30-75-187)214-157(262)119(44-24-31-76-188)223-175(280)143(97(5)6)235-150(255)102(13)209-153(258)127(70-82-284-15)222-164(269)126(67-69-139(192)247)221-155(260)116(41-21-28-73-185)213-158(263)121(46-33-78-203-179(195)196)218-168(273)131(87-106-52-60-110(243)61-53-106)227-162(267)123(48-35-80-205-181(199)200)219-173(278)136(93-239)233-170(275)133(89-108-56-64-112(245)65-57-108)229-174(279)137(94-240)234-172(277)135(91-142(250)251)232-178(283)146(103(14)241)238-151(256)113(190)85-104-37-17-16-18-38-104/h16-18,37-38,50-65,95-103,113-137,143-146,239-245H,19-36,39-49,66-94,183-190H2,1-15H3,(H2,191,246)(H2,192,247)(H2,193,248)(H2,194,252)(H,207,257)(H,208,253)(H,209,258)(H,210,271)(H,211,249)(H,212,276)(H,213,263)(H,214,262)(H,215,259)(H,216,268)(H,217,272)(H,218,273)(H,219,278)(H,220,261)(H,221,260)(H,222,269)(H,223,280)(H,224,281)(H,225,274)(H,226,266)(H,227,267)(H,228,264)(H,229,279)(H,230,265)(H,231,282)(H,232,283)(H,233,275)(H,234,277)(H,235,255)(H,236,254)(H,237,270)(H,238,256)(H,250,251)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)(H4,201,202,206)/t100-,101-,102-,103+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,143-,144-,145-,146-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81524 ([Phe2]PACAP(1-38)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C209H335N63O52S/c1-18-114(12)168(268-162(284)105-236-176(295)154(101-163(285)286)262-193(312)147(93-119-43-21-19-22-44-119)255-174(293)130(217)99-125-103-230-108-237-125)204(323)264-152(94-120-45-23-20-24-46-120)198(317)272-169(118(16)275)205(324)265-155(102-164(287)288)197(316)267-157(107-274)200(319)260-151(98-124-64-72-129(279)73-65-124)195(314)266-156(106-273)199(318)249-140(56-41-88-233-208(226)227)186(305)258-149(96-122-60-68-127(277)69-61-122)192(311)248-138(54-39-86-231-206(222)223)182(301)243-133(49-27-34-81-212)179(298)251-143(75-77-159(219)281)188(307)252-144(78-90-325-17)177(296)239-117(15)173(292)269-165(111(6)7)201(320)253-136(52-30-37-84-215)181(300)244-135(51-29-36-83-214)183(302)259-150(97-123-62-70-128(278)71-63-123)194(313)256-146(92-110(4)5)190(309)240-115(13)171(290)238-116(14)172(291)270-166(112(8)9)203(322)263-145(91-109(2)3)175(294)235-104-161(283)241-132(48-26-33-80-211)178(297)245-139(55-40-87-232-207(224)225)185(304)257-148(95-121-58-66-126(276)67-59-121)191(310)247-134(50-28-35-82-213)180(299)250-142(74-76-158(218)280)187(306)246-141(57-42-89-234-209(228)229)189(308)271-167(113(10)11)202(321)254-137(53-31-38-85-216)184(303)261-153(100-160(220)282)196(315)242-131(170(221)289)47-25-32-79-210/h19-24,43-46,58-73,103,108-118,130-157,165-169,273-279H,18,25-42,47-57,74-102,104-107,210-217H2,1-17H3,(H2,218,280)(H2,219,281)(H2,220,282)(H2,221,289)(H,230,237)(H,235,294)(H,236,295)(H,238,290)(H,239,296)(H,240,309)(H,241,283)(H,242,315)(H,243,301)(H,244,300)(H,245,297)(H,246,306)(H,247,310)(H,248,311)(H,249,318)(H,250,299)(H,251,298)(H,252,307)(H,253,320)(H,254,321)(H,255,293)(H,256,313)(H,257,304)(H,258,305)(H,259,302)(H,260,319)(H,261,303)(H,262,312)(H,263,322)(H,264,323)(H,265,324)(H,266,314)(H,267,316)(H,268,284)(H,269,292)(H,270,291)(H,271,308)(H,272,317)(H,285,286)(H,287,288)(H4,222,223,231)(H4,224,225,232)(H4,226,227,233)(H4,228,229,234)/t114?,115-,116-,117-,118+,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,165-,166-,167-,168-,169-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82356 (PACAP(2-38)) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C197H324N60O52S/c1-18-106(12)157(253-151(270)97-223-165(281)143(94-152(271)272)241-163(279)120(205)98-258)192(308)249-141(88-111-40-20-19-21-41-111)186(302)257-158(110(16)261)193(309)250-144(95-153(273)274)185(301)252-146(100-260)188(304)246-140(92-115-59-67-119(265)68-60-115)183(299)251-145(99-259)187(303)235-130(51-38-83-220-196(214)215)175(291)244-138(90-113-55-63-117(263)64-56-113)181(297)234-128(49-36-81-218-194(210)211)171(287)229-123(44-24-31-76-200)168(284)237-133(70-72-148(207)267)177(293)238-134(73-85-310-17)166(282)225-109(15)162(278)254-154(103(6)7)189(305)239-126(47-27-34-79-203)170(286)230-125(46-26-33-78-202)172(288)245-139(91-114-57-65-118(264)66-58-114)182(298)242-136(87-102(4)5)179(295)226-107(13)160(276)224-108(14)161(277)255-155(104(8)9)191(307)248-135(86-101(2)3)164(280)222-96-150(269)227-122(43-23-30-75-199)167(283)231-129(50-37-82-219-195(212)213)174(290)243-137(89-112-53-61-116(262)62-54-112)180(296)233-124(45-25-32-77-201)169(285)236-132(69-71-147(206)266)176(292)232-131(52-39-84-221-197(216)217)178(294)256-156(105(10)11)190(306)240-127(48-28-35-80-204)173(289)247-142(93-149(208)268)184(300)228-121(159(209)275)42-22-29-74-198/h19-21,40-41,53-68,101-110,120-146,154-158,258-265H,18,22-39,42-52,69-100,198-205H2,1-17H3,(H2,206,266)(H2,207,267)(H2,208,268)(H2,209,275)(H,222,280)(H,223,281)(H,224,276)(H,225,282)(H,226,295)(H,227,269)(H,228,300)(H,229,287)(H,230,286)(H,231,283)(H,232,292)(H,233,296)(H,234,297)(H,235,303)(H,236,285)(H,237,284)(H,238,293)(H,239,305)(H,240,306)(H,241,279)(H,242,298)(H,243,290)(H,244,291)(H,245,288)(H,246,304)(H,247,289)(H,248,307)(H,249,308)(H,250,309)(H,251,299)(H,252,301)(H,253,270)(H,254,278)(H,255,277)(H,256,294)(H,257,302)(H,271,272)(H,273,274)(H4,210,211,218)(H4,212,213,219)(H4,214,215,220)(H4,216,217,221)/t106?,107-,108-,109-,110+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,154-,155-,156-,157-,158-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82440 (PACAP(6-31)) Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6] |r| Show InChI InChI=1S/C145H231N41O36S/c1-76(2)65-103(123(203)162-73-113(195)166-94(31-18-22-57-146)125(205)169-99(36-27-62-160-144(154)155)130(210)176-105(122(202)158-13)68-85-38-46-89(190)47-39-85)180-141(221)116(79(7)8)185-119(199)81(10)163-118(198)80(9)165-133(213)104(66-77(3)4)175-135(215)107(70-87-42-50-91(192)51-43-87)178-129(209)96(33-20-24-59-148)168-127(207)97(34-21-25-60-149)174-140(220)115(78(5)6)184-120(200)82(11)164-124(204)102(56-64-223-14)173-132(212)101(54-55-112(151)194)172-126(206)95(32-19-23-58-147)167-128(208)98(35-26-61-159-143(152)153)170-134(214)106(69-86-40-48-90(191)49-41-86)177-131(211)100(37-28-63-161-145(156)157)171-138(218)110(74-187)182-136(216)108(71-88-44-52-92(193)53-45-88)179-139(219)111(75-188)183-137(217)109(72-114(196)197)181-142(222)117(83(12)189)186-121(201)93(150)67-84-29-16-15-17-30-84/h15-17,29-30,38-53,76-83,93-111,115-117,187-193H,18-28,31-37,54-75,146-150H2,1-14H3,(H2,151,194)(H,158,202)(H,162,203)(H,163,198)(H,164,204)(H,165,213)(H,166,195)(H,167,208)(H,168,207)(H,169,205)(H,170,214)(H,171,218)(H,172,206)(H,173,212)(H,174,220)(H,175,215)(H,176,210)(H,177,211)(H,178,209)(H,179,219)(H,180,221)(H,181,222)(H,182,216)(H,183,217)(H,184,200)(H,185,199)(H,186,201)(H,196,197)(H4,152,153,159)(H4,154,155,160)(H4,156,157,161)/t80-,81-,82-,83+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,115-,116-,117-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81825 (PACAP(1-23),VIP(24-28)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C148H233N43O43S/c1-14-76(9)117(187-112(203)67-164-123(211)94(47-49-113(204)205)171-138(226)105(68-192)183-122(210)88(152)62-84-66-161-72-165-84)144(232)181-102(58-80-27-17-16-18-28-80)137(225)191-119(79(12)196)146(234)182-104(65-114(206)207)136(224)185-107(70-194)140(228)179-101(61-83-38-44-87(199)45-39-83)134(222)184-106(69-193)139(227)170-93(33-26-55-163-148(159)160)129(217)177-99(59-81-34-40-85(197)41-35-81)132(220)169-92(32-25-54-162-147(157)158)127(215)167-89(29-19-22-51-149)125(213)172-95(46-48-109(153)200)130(218)173-96(50-56-235-13)124(212)166-78(11)121(209)188-115(74(5)6)142(230)174-91(31-21-24-53-151)126(214)168-90(30-20-23-52-150)128(216)178-100(60-82-36-42-86(198)43-37-82)133(221)176-98(57-73(3)4)131(219)180-103(64-111(155)202)135(223)186-108(71-195)141(229)190-118(77(10)15-2)145(233)189-116(75(7)8)143(231)175-97(120(156)208)63-110(154)201/h16-18,27-28,34-45,66,72-79,88-108,115-119,192-199H,14-15,19-26,29-33,46-65,67-71,149-152H2,1-13H3,(H2,153,200)(H2,154,201)(H2,155,202)(H2,156,208)(H,161,165)(H,164,211)(H,166,212)(H,167,215)(H,168,214)(H,169,220)(H,170,227)(H,171,226)(H,172,213)(H,173,218)(H,174,230)(H,175,231)(H,176,221)(H,177,217)(H,178,216)(H,179,228)(H,180,219)(H,181,232)(H,182,234)(H,183,210)(H,184,222)(H,185,224)(H,186,223)(H,187,203)(H,188,209)(H,189,233)(H,190,229)(H,191,225)(H,204,205)(H,206,207)(H4,157,158,162)(H4,159,160,163)/t76?,77?,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-,117-,118-,119-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georg-August-University Curated by PDSP Ki Database | Eur J Biochem 202: 951-8 (1991) Article DOI: 10.1111/j.1432-1033.1991.tb16455.x BindingDB Entry DOI: 10.7270/Q2PR7TG8 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM50250068 (CHEMBL501240 | PACAP(1-27) | PACAP-27 | [Glu3]PACA...) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:27.27,12.17,4.4,49.50,50.53,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,wD:21.23,2.2,38.38,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,(4.62,.39,;4.62,-1.15,;5.96,-1.91,;7.29,-1.15,;5.96,-3.45,;4.62,-4.22,;3.28,-3.45,;3.28,-1.91,;1.95,-4.22,;.62,-3.45,;-.71,-4.22,;-.71,-5.76,;-2.04,-3.45,;-2.04,-1.91,;-.71,-1.15,;-.71,.39,;-2.04,1.16,;.62,1.16,;-3.38,-4.22,;-4.72,-3.45,;-4.72,-1.91,;-6.05,-4.22,;-6.05,-5.76,;-4.72,-6.54,;-7.38,-3.45,;-8.71,-4.22,;-8.71,-5.76,;-10.04,-3.45,;-11.38,-4.22,;-10.04,-1.91,;-8.71,-1.15,;-7.3,-1.78,;-6.27,-.62,;-7.04,.71,;-8.55,.39,;7.29,-4.22,;7.29,-5.76,;8.62,-3.45,;9.95,-4.22,;9.95,-5.76,;11.28,-6.54,;12.63,-5.76,;13.96,-6.54,;13.96,-8.08,;12.63,-8.85,;11.28,-8.08,;11.28,-3.45,;11.28,-1.91,;12.62,-4.22,;13.95,-3.45,;13.95,-1.91,;12.62,-1.15,;15.29,-1.15,;15.29,-4.22,;15.29,-5.76,;16.62,-3.45,;17.95,-4.22,;17.95,-5.76,;19.28,-6.54,;20.61,-5.76,;19.28,-8.07,;19.28,-3.45,;19.28,-1.91,;20.61,-4.22,;21.95,-3.45,;21.95,-1.91,;23.29,-1.15,;23.29,-4.22,;23.29,-5.76,;24.62,-3.45,;25.95,-4.22,;25.95,-5.76,;27.28,-6.54,;28.62,-5.76,;29.96,-6.54,;29.96,-8.08,;31.29,-8.85,;28.62,-8.85,;27.28,-8.08,;27.28,-3.45,;27.28,-1.91,;28.61,-4.22,;29.95,-3.45,;29.95,-1.91,;31.29,-1.15,;31.29,-4.22,;31.29,-5.76,;32.62,-3.45,;33.95,-4.22,;33.95,-5.76,;35.28,-6.54,;35.28,-8.07,;36.61,-8.85,;36.61,-10.39,;35.28,-11.15,;37.94,-11.15,;35.28,-3.45,;35.28,-1.91,;36.61,-4.22,;37.94,-3.45,;37.94,-1.91,;39.29,-1.15,;40.62,-1.91,;41.96,-1.15,;41.96,.39,;43.29,1.17,;40.62,1.17,;39.29,.39,;39.29,-4.22,;39.29,-5.76,;40.62,-3.45,;41.95,-4.22,;41.95,-5.76,;43.28,-6.54,;43.28,-8.07,;44.61,-8.85,;44.61,-10.39,;43.28,-11.15,;45.94,-11.15,;43.28,-3.45,;43.28,-1.91,;44.61,-4.22,;45.94,-3.45,;45.94,-1.91,;47.28,-1.15,;47.28,.39,;48.62,1.16,;48.62,2.7,;47.28,-4.22,;47.28,-5.76,;48.62,-3.45,;49.95,-4.22,;49.95,-5.76,;51.28,-6.54,;51.28,-8.07,;49.95,-8.85,;52.61,-8.85,;51.28,-3.45,;51.28,-1.91,;52.61,-4.22,;53.94,-3.45,;53.94,-1.91,;55.28,-1.15,;55.28,.39,;56.62,1.16,;55.28,-4.22,;55.28,-5.76,;56.62,-3.45,;57.95,-4.22,;57.95,-5.76,;59.28,-3.45,;59.28,-1.91,;60.61,-4.22,;61.94,-3.45,;61.94,-1.91,;63.27,-1.15,;60.61,-1.15,;63.27,-4.22,;63.27,-5.76,;64.61,-3.45,;65.95,-4.22,;65.95,-5.76,;67.28,-6.54,;67.28,-8.07,;68.61,-8.85,;68.61,-10.39,;67.28,-3.45,;67.28,-1.91,;68.61,-4.22,;69.94,-3.45,;69.94,-1.91,;71.27,-1.15,;71.27,.39,;72.61,1.16,;72.61,2.7,;71.27,-4.22,;71.27,-5.76,;72.61,-3.45,;73.95,-4.22,;73.95,-5.76,;75.28,-6.54,;76.61,-5.76,;77.95,-6.54,;77.95,-8.08,;79.28,-8.85,;76.61,-8.85,;75.28,-8.08,;75.28,-3.45,;75.28,-1.91,;76.61,-4.22,;77.94,-3.45,;77.94,-1.91,;79.27,-1.15,;79.27,.39,;80.61,-1.91,;79.27,-4.22,;79.27,-5.76,;80.61,-3.45,;81.95,-4.22,;81.95,-5.76,;83.28,-3.45,;83.28,-1.91,;84.61,-4.22,;85.94,-3.45,;85.94,-1.91,;87.27,-4.22,;87.27,-5.76,;88.61,-3.45,;89.95,-4.22,;89.95,-5.76,;91.28,-6.54,;88.61,-6.54,;91.28,-3.45,;91.28,-1.91,;92.61,-4.22,;93.94,-3.45,;93.94,-1.91,;95.27,-1.15,;95.27,.39,;96.6,-1.91,;95.27,-4.22,;96.6,-3.45,;95.27,-5.76,)| Show InChI InChI=1S/C143H226N40O39S/c1-16-76(10)114(180-109(192)67-157-121(202)95(48-50-110(193)194)166-135(216)105(68-184)177-120(201)89(147)64-85-66-154-71-158-85)140(221)175-103(60-81-28-18-17-19-29-81)134(215)183-115(80(14)187)141(222)176-104(65-111(195)196)133(214)179-107(70-186)137(218)174-102(63-84-39-45-88(190)46-40-84)132(213)178-106(69-185)136(217)165-94(34-27-56-156-143(152)153)127(208)172-100(61-82-35-41-86(188)42-36-82)130(211)164-93(33-26-55-155-142(150)151)125(206)162-90(30-20-23-52-144)123(204)167-96(47-49-108(148)191)128(209)168-97(51-57-223-15)122(203)160-79(13)119(200)181-112(74(6)7)138(219)169-92(32-22-25-54-146)124(205)163-91(31-21-24-53-145)126(207)173-101(62-83-37-43-87(189)44-38-83)131(212)171-99(59-73(4)5)129(210)161-77(11)117(198)159-78(12)118(199)182-113(75(8)9)139(220)170-98(116(149)197)58-72(2)3/h17-19,28-29,35-46,66,71-80,89-107,112-115,184-190H,16,20-27,30-34,47-65,67-70,144-147H2,1-15H3,(H2,148,191)(H2,149,197)(H,154,158)(H,157,202)(H,159,198)(H,160,203)(H,161,210)(H,162,206)(H,163,205)(H,164,211)(H,165,217)(H,166,216)(H,167,204)(H,168,209)(H,169,219)(H,170,220)(H,171,212)(H,172,208)(H,173,207)(H,174,218)(H,175,221)(H,176,222)(H,177,201)(H,178,213)(H,179,214)(H,180,192)(H,181,200)(H,182,199)(H,183,215)(H,193,194)(H,195,196)(H4,150,151,155)(H4,152,153,156)/t76-,77-,78-,79-,80+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,112-,113-,114-,115-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georg-August-University Curated by PDSP Ki Database | Eur J Biochem 202: 951-8 (1991) Article DOI: 10.1111/j.1432-1033.1991.tb16455.x BindingDB Entry DOI: 10.7270/Q2PR7TG8 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82356 (PACAP(2-38)) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C197H324N60O52S/c1-18-106(12)157(253-151(270)97-223-165(281)143(94-152(271)272)241-163(279)120(205)98-258)192(308)249-141(88-111-40-20-19-21-41-111)186(302)257-158(110(16)261)193(309)250-144(95-153(273)274)185(301)252-146(100-260)188(304)246-140(92-115-59-67-119(265)68-60-115)183(299)251-145(99-259)187(303)235-130(51-38-83-220-196(214)215)175(291)244-138(90-113-55-63-117(263)64-56-113)181(297)234-128(49-36-81-218-194(210)211)171(287)229-123(44-24-31-76-200)168(284)237-133(70-72-148(207)267)177(293)238-134(73-85-310-17)166(282)225-109(15)162(278)254-154(103(6)7)189(305)239-126(47-27-34-79-203)170(286)230-125(46-26-33-78-202)172(288)245-139(91-114-57-65-118(264)66-58-114)182(298)242-136(87-102(4)5)179(295)226-107(13)160(276)224-108(14)161(277)255-155(104(8)9)191(307)248-135(86-101(2)3)164(280)222-96-150(269)227-122(43-23-30-75-199)167(283)231-129(50-37-82-219-195(212)213)174(290)243-137(89-112-53-61-116(262)62-54-112)180(296)233-124(45-25-32-77-201)169(285)236-132(69-71-147(206)266)176(292)232-131(52-39-84-221-197(216)217)178(294)256-156(105(10)11)190(306)240-127(48-28-35-80-204)173(289)247-142(93-149(208)268)184(300)228-121(159(209)275)42-22-29-74-198/h19-21,40-41,53-68,101-110,120-146,154-158,258-265H,18,22-39,42-52,69-100,198-205H2,1-17H3,(H2,206,266)(H2,207,267)(H2,208,268)(H2,209,275)(H,222,280)(H,223,281)(H,224,276)(H,225,282)(H,226,295)(H,227,269)(H,228,300)(H,229,287)(H,230,286)(H,231,283)(H,232,292)(H,233,296)(H,234,297)(H,235,303)(H,236,285)(H,237,284)(H,238,293)(H,239,305)(H,240,306)(H,241,279)(H,242,298)(H,243,290)(H,244,291)(H,245,288)(H,246,304)(H,247,289)(H,248,307)(H,249,308)(H,250,309)(H,251,299)(H,252,301)(H,253,270)(H,254,278)(H,255,277)(H,256,294)(H,257,302)(H,271,272)(H,273,274)(H4,210,211,218)(H4,212,213,219)(H4,214,215,220)(H4,216,217,221)/t106?,107-,108-,109-,110+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,154-,155-,156-,157-,158-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Eur J Pharmacol 288: 259-67 (1995) Article DOI: 10.1016/0922-4106(95)90037-3 BindingDB Entry DOI: 10.7270/Q2VM49S4 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82361 (PACAP(2-27)) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r| Show InChI InChI=1S/C137H219N37O38S/c1-16-73(10)109(171-104(183)65-150-116(193)91(48-50-105(184)185)154-115(192)85(141)66-175)134(211)167-99(60-78-28-18-17-19-29-78)129(206)174-110(77(14)178)135(212)168-100(64-106(186)187)128(205)170-102(68-177)131(208)166-98(63-81-39-45-84(181)46-40-81)127(204)169-101(67-176)130(207)158-90(34-27-56-149-137(146)147)122(199)164-96(61-79-35-41-82(179)42-36-79)125(202)157-89(33-26-55-148-136(144)145)120(197)155-86(30-20-23-52-138)118(195)159-92(47-49-103(142)182)123(200)160-93(51-57-213-15)117(194)152-76(13)114(191)172-107(71(6)7)132(209)161-88(32-22-25-54-140)119(196)156-87(31-21-24-53-139)121(198)165-97(62-80-37-43-83(180)44-38-80)126(203)163-95(59-70(4)5)124(201)153-74(11)112(189)151-75(12)113(190)173-108(72(8)9)133(210)162-94(111(143)188)58-69(2)3/h17-19,28-29,35-46,69-77,85-102,107-110,175-181H,16,20-27,30-34,47-68,138-141H2,1-15H3,(H2,142,182)(H2,143,188)(H,150,193)(H,151,189)(H,152,194)(H,153,201)(H,154,192)(H,155,197)(H,156,196)(H,157,202)(H,158,207)(H,159,195)(H,160,200)(H,161,209)(H,162,210)(H,163,203)(H,164,199)(H,165,198)(H,166,208)(H,167,211)(H,168,212)(H,169,204)(H,170,205)(H,171,183)(H,172,191)(H,173,190)(H,174,206)(H,184,185)(H,186,187)(H4,144,145,148)(H4,146,147,149)/t73?,74-,75-,76-,77+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,107-,108-,109-,110-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Eur J Pharmacol 288: 259-67 (1995) Article DOI: 10.1016/0922-4106(95)90037-3 BindingDB Entry DOI: 10.7270/Q2VM49S4 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81531 ([D-Phe2]PACAP-38 | [DPhe2]PACAP(1-38)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C209H335N63O52S/c1-18-114(12)168(268-162(284)105-236-176(295)154(101-163(285)286)262-193(312)147(93-119-43-21-19-22-44-119)255-174(293)130(217)99-125-103-230-108-237-125)204(323)264-152(94-120-45-23-20-24-46-120)198(317)272-169(118(16)275)205(324)265-155(102-164(287)288)197(316)267-157(107-274)200(319)260-151(98-124-64-72-129(279)73-65-124)195(314)266-156(106-273)199(318)249-140(56-41-88-233-208(226)227)186(305)258-149(96-122-60-68-127(277)69-61-122)192(311)248-138(54-39-86-231-206(222)223)182(301)243-133(49-27-34-81-212)179(298)251-143(75-77-159(219)281)188(307)252-144(78-90-325-17)177(296)239-117(15)173(292)269-165(111(6)7)201(320)253-136(52-30-37-84-215)181(300)244-135(51-29-36-83-214)183(302)259-150(97-123-62-70-128(278)71-63-123)194(313)256-146(92-110(4)5)190(309)240-115(13)171(290)238-116(14)172(291)270-166(112(8)9)203(322)263-145(91-109(2)3)175(294)235-104-161(283)241-132(48-26-33-80-211)178(297)245-139(55-40-87-232-207(224)225)185(304)257-148(95-121-58-66-126(276)67-59-121)191(310)247-134(50-28-35-82-213)180(299)250-142(74-76-158(218)280)187(306)246-141(57-42-89-234-209(228)229)189(308)271-167(113(10)11)202(321)254-137(53-31-38-85-216)184(303)261-153(100-160(220)282)196(315)242-131(170(221)289)47-25-32-79-210/h19-24,43-46,58-73,103,108-118,130-157,165-169,273-279H,18,25-42,47-57,74-102,104-107,210-217H2,1-17H3,(H2,218,280)(H2,219,281)(H2,220,282)(H2,221,289)(H,230,237)(H,235,294)(H,236,295)(H,238,290)(H,239,296)(H,240,309)(H,241,283)(H,242,315)(H,243,301)(H,244,300)(H,245,297)(H,246,306)(H,247,310)(H,248,311)(H,249,318)(H,250,299)(H,251,298)(H,252,307)(H,253,320)(H,254,321)(H,255,293)(H,256,313)(H,257,304)(H,258,305)(H,259,302)(H,260,319)(H,261,303)(H,262,312)(H,263,322)(H,264,323)(H,265,324)(H,266,314)(H,267,316)(H,268,284)(H,269,292)(H,270,291)(H,271,308)(H,272,317)(H,285,286)(H,287,288)(H4,222,223,231)(H4,224,225,232)(H4,226,227,233)(H4,228,229,234)/t114?,115-,116-,117-,118+,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147+,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,165-,166-,167-,168-,169-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit´ Libre de Bruxelles Curated by PDSP Ki Database | Mol Pharmacol 42: 347-55 (1992) BindingDB Entry DOI: 10.7270/Q2NZ864G | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81824 (PACAP(1-33,Cys34)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C179H285N53O48S2/c1-16-95(10)143(229-138(244)85-200-151(255)129(81-139(245)246)221-171(275)131(86-233)225-149(253)110(185)80-105-83-195-90-201-105)175(279)223-128(75-100-33-18-17-19-34-100)169(273)232-144(99(14)236)176(280)224-130(82-140(247)248)168(272)227-133(88-235)172(276)220-127(79-104-49-57-109(240)58-50-104)167(271)226-132(87-234)170(274)211-118(42-32-71-198-179(193)194)160(264)218-125(77-102-45-53-107(238)54-46-102)165(269)210-116(40-30-69-196-177(189)190)157(261)206-112(36-21-26-65-181)154(258)212-119(59-61-135(186)241)161(265)214-121(63-72-282-15)152(256)203-98(13)148(252)230-141(93(6)7)173(277)215-115(39-24-29-68-184)156(260)207-114(38-23-28-67-183)158(262)219-126(78-103-47-55-108(239)56-48-103)166(270)216-123(74-92(4)5)163(267)204-96(11)146(250)202-97(12)147(251)231-142(94(8)9)174(278)222-122(73-91(2)3)150(254)199-84-137(243)205-111(35-20-25-64-180)153(257)208-117(41-31-70-197-178(191)192)159(263)217-124(76-101-43-51-106(237)52-44-101)164(268)209-113(37-22-27-66-182)155(259)213-120(60-62-136(187)242)162(266)228-134(89-281)145(188)249/h17-19,33-34,43-58,83,90-99,110-134,141-144,233-240,281H,16,20-32,35-42,59-82,84-89,180-185H2,1-15H3,(H2,186,241)(H2,187,242)(H2,188,249)(H,195,201)(H,199,254)(H,200,255)(H,202,250)(H,203,256)(H,204,267)(H,205,243)(H,206,261)(H,207,260)(H,208,257)(H,209,268)(H,210,269)(H,211,274)(H,212,258)(H,213,259)(H,214,265)(H,215,277)(H,216,270)(H,217,263)(H,218,264)(H,219,262)(H,220,276)(H,221,275)(H,222,278)(H,223,279)(H,224,280)(H,225,253)(H,226,271)(H,227,272)(H,228,266)(H,229,244)(H,230,252)(H,231,251)(H,232,273)(H,245,246)(H,247,248)(H4,189,190,196)(H4,191,192,197)(H4,193,194,198)/t95?,96-,97-,98-,99+,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,141-,142-,143-,144-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georg-August-University Curated by PDSP Ki Database | Eur J Biochem 202: 951-8 (1991) Article DOI: 10.1111/j.1432-1033.1991.tb16455.x BindingDB Entry DOI: 10.7270/Q2PR7TG8 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81535 (CHEMBL525267 | PACAP(6-38)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C182H300N56O45S/c1-95(2)83-128(152(257)207-92-141(249)211-115(40-20-27-72-184)154(259)215-122(47-34-79-204-180(197)198)161(266)226-130(86-105-50-58-109(242)59-51-105)167(272)217-117(42-22-29-74-186)156(261)220-125(66-68-138(191)246)163(268)216-124(49-36-81-206-182(201)202)165(270)237-145(99(9)10)176(281)224-120(45-25-32-77-189)160(265)230-134(90-140(193)248)171(276)212-114(147(194)252)39-19-26-71-183)231-177(282)144(98(7)8)236-149(254)101(12)208-148(253)100(11)210-166(271)129(84-96(3)4)225-169(274)132(88-107-54-62-111(244)63-55-107)228-159(264)118(43-23-30-75-187)214-157(262)119(44-24-31-76-188)223-175(280)143(97(5)6)235-150(255)102(13)209-153(258)127(70-82-284-15)222-164(269)126(67-69-139(192)247)221-155(260)116(41-21-28-73-185)213-158(263)121(46-33-78-203-179(195)196)218-168(273)131(87-106-52-60-110(243)61-53-106)227-162(267)123(48-35-80-205-181(199)200)219-173(278)136(93-239)233-170(275)133(89-108-56-64-112(245)65-57-108)229-174(279)137(94-240)234-172(277)135(91-142(250)251)232-178(283)146(103(14)241)238-151(256)113(190)85-104-37-17-16-18-38-104/h16-18,37-38,50-65,95-103,113-137,143-146,239-245H,19-36,39-49,66-94,183-190H2,1-15H3,(H2,191,246)(H2,192,247)(H2,193,248)(H2,194,252)(H,207,257)(H,208,253)(H,209,258)(H,210,271)(H,211,249)(H,212,276)(H,213,263)(H,214,262)(H,215,259)(H,216,268)(H,217,272)(H,218,273)(H,219,278)(H,220,261)(H,221,260)(H,222,269)(H,223,280)(H,224,281)(H,225,274)(H,226,266)(H,227,267)(H,228,264)(H,229,279)(H,230,265)(H,231,282)(H,232,283)(H,233,275)(H,234,277)(H,235,255)(H,236,254)(H,237,270)(H,238,256)(H,250,251)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)(H4,201,202,206)/t100-,101-,102-,103+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,143-,144-,145-,146-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit´ Libre de Bruxelles Curated by PDSP Ki Database | Mol Pharmacol 42: 347-55 (1992) BindingDB Entry DOI: 10.7270/Q2NZ864G | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82441 ([DAla2]PACAP(1-27)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:48.49,63.64,81.83,98.100,121.124,139.142,152.155,168.171,189.193,202.207,214.218,49.52,4.4,12.17,21.21,26.26,wD:37.37,55.56,69.70,87.89,110.113,147.151,177.180,197.202,207.211,130.133,159.162,(-14.46,-50.6,;-14.44,-52.33,;-15.67,-53.24,;-17,-52.47,;-15.67,-54.78,;-17,-55.55,;-18.34,-54.78,;-18.34,-53.24,;-19.43,-55.87,;-20.76,-55.1,;-22.14,-55.94,;-22.14,-57.48,;-23.47,-55.17,;-23.47,-53.63,;-24.56,-52.54,;-24.56,-51,;-25.89,-50.23,;-23.23,-50.23,;-24.56,-56.25,;-25.89,-55.48,;-25.96,-54.17,;-27.23,-56.25,;-27.23,-57.79,;-28.56,-55.48,;-29.89,-56.25,;-29.89,-57.79,;-31.23,-55.48,;-32.54,-56.66,;-31.23,-53.94,;-32,-52.61,;-32,-51.07,;-34.67,-51.07,;-34.67,-52.61,;-33.33,-53.38,;-14.34,-55.55,;-14.41,-57.12,;-13,-54.78,;-11.67,-55.55,;-11.67,-57.09,;-10.34,-57.86,;-9,-57.09,;-7.66,-57.86,;-7.66,-59.41,;-9,-60.18,;-10.34,-59.41,;-10.34,-54.78,;-10.34,-53.24,;-9,-55.55,;-7.67,-54.78,;-7.67,-53.24,;-9,-52.47,;-6.33,-52.47,;-6.33,-55.55,;-6.33,-57.09,;-5,-54.78,;-3.67,-55.55,;-3.67,-57.09,;-2.33,-57.86,;-1,-57.09,;-2.33,-59.4,;-2.33,-54.78,;-2.33,-53.24,;-1,-55.55,;.33,-54.78,;.33,-53.24,;1.67,-52.47,;1.67,-55.55,;1.67,-57.09,;3,-54.78,;4.34,-55.55,;4.34,-57.09,;5.67,-57.86,;7.01,-57.09,;8.35,-57.86,;8.35,-59.41,;9.68,-60.18,;7.01,-60.18,;5.67,-59.41,;5.67,-54.78,;5.67,-53.24,;7,-55.55,;8.34,-54.78,;8.34,-53.24,;9.67,-52.47,;9.67,-55.55,;9.67,-57.09,;11,-54.78,;12.34,-55.55,;12.34,-57.09,;13.67,-57.86,;13.67,-59.4,;15,-60.17,;15,-61.71,;13.67,-62.48,;16.34,-62.48,;13.67,-54.78,;13.67,-53.24,;15,-55.55,;16.34,-54.78,;16.34,-53.24,;17.67,-52.47,;19.01,-53.25,;20.35,-52.47,;20.35,-50.93,;21.68,-50.16,;19.01,-50.16,;17.67,-50.93,;17.67,-55.55,;17.67,-57.09,;19.01,-54.78,;20.34,-55.55,;20.34,-57.09,;21.67,-57.86,;21.67,-59.4,;23.01,-60.17,;23.01,-61.71,;21.67,-62.48,;24.34,-62.48,;21.67,-54.78,;21.67,-53.24,;23.01,-55.55,;24.34,-54.78,;24.34,-53.24,;25.67,-52.47,;25.67,-50.93,;27.01,-50.16,;27.01,-48.62,;25.67,-55.55,;25.67,-57.09,;27.01,-54.78,;28.34,-55.55,;28.34,-57.09,;29.67,-57.86,;29.67,-59.4,;28.34,-60.17,;31.01,-60.17,;29.67,-54.78,;29.67,-53.24,;31.01,-55.55,;32.34,-54.78,;32.34,-53.24,;33.68,-52.47,;33.68,-50.93,;35.01,-50.16,;33.68,-55.55,;33.68,-57.09,;35.01,-54.78,;36.34,-55.55,;36.34,-57.09,;37.68,-54.78,;37.68,-53.24,;39.01,-55.55,;40.34,-54.78,;40.34,-53.24,;41.68,-52.47,;39.01,-52.47,;41.68,-55.55,;41.68,-57.09,;43.01,-54.78,;44.34,-55.55,;44.34,-57.09,;45.68,-57.86,;45.68,-59.4,;47.01,-60.17,;47.01,-61.71,;45.68,-54.78,;45.68,-53.24,;47.01,-55.55,;48.35,-54.78,;48.35,-53.24,;49.68,-52.47,;49.68,-50.93,;51.01,-50.16,;51.01,-48.62,;49.68,-55.55,;49.68,-57.09,;51.01,-54.78,;52.35,-55.55,;52.35,-57.09,;53.68,-57.86,;55.02,-57.09,;56.36,-57.86,;56.36,-59.41,;57.69,-60.18,;55.02,-60.18,;53.68,-59.41,;53.68,-54.78,;53.68,-53.24,;55.01,-55.55,;56.35,-54.78,;56.35,-53.24,;57.68,-52.47,;57.68,-50.93,;59.01,-53.24,;57.68,-55.55,;57.68,-57.09,;59.01,-54.78,;60.35,-55.55,;60.35,-57.09,;61.68,-54.78,;61.68,-53.24,;63.02,-55.55,;64.35,-54.78,;64.35,-53.24,;65.68,-55.55,;65.68,-57.09,;67.02,-54.78,;68.35,-55.55,;68.35,-57.09,;69.68,-57.86,;67.02,-57.86,;69.68,-54.78,;69.68,-53.24,;71.02,-55.55,;72.35,-54.78,;72.35,-53.24,;73.68,-52.47,;73.68,-50.93,;75.02,-53.24,;73.68,-55.55,;75.02,-54.78,;73.68,-57.09,)| Show InChI InChI=1S/C143H226N40O38S/c1-17-76(10)114(180-109(191)68-157-122(202)96(49-51-110(192)193)163-118(198)78(12)160-121(201)90(147)65-86-67-154-71-158-86)140(220)176-104(61-82-29-19-18-20-30-82)135(215)183-115(81(15)186)141(221)177-105(66-111(194)195)134(214)179-107(70-185)137(217)175-103(64-85-40-46-89(189)47-41-85)133(213)178-106(69-184)136(216)167-95(35-28-57-156-143(152)153)128(208)173-101(62-83-36-42-87(187)43-37-83)131(211)166-94(34-27-56-155-142(150)151)126(206)164-91(31-21-24-53-144)124(204)168-97(48-50-108(148)190)129(209)169-98(52-58-222-16)123(203)161-80(14)120(200)181-112(74(6)7)138(218)170-93(33-23-26-55-146)125(205)165-92(32-22-25-54-145)127(207)174-102(63-84-38-44-88(188)45-39-84)132(212)172-100(60-73(4)5)130(210)162-77(11)117(197)159-79(13)119(199)182-113(75(8)9)139(219)171-99(116(149)196)59-72(2)3/h18-20,29-30,36-47,67,71-81,90-107,112-115,184-189H,17,21-28,31-35,48-66,68-70,144-147H2,1-16H3,(H2,148,190)(H2,149,196)(H,154,158)(H,157,202)(H,159,197)(H,160,201)(H,161,203)(H,162,210)(H,163,198)(H,164,206)(H,165,205)(H,166,211)(H,167,216)(H,168,204)(H,169,209)(H,170,218)(H,171,219)(H,172,212)(H,173,208)(H,174,207)(H,175,217)(H,176,220)(H,177,221)(H,178,213)(H,179,214)(H,180,191)(H,181,200)(H,182,199)(H,183,215)(H,192,193)(H,194,195)(H4,150,151,155)(H4,152,153,156)/t76?,77-,78+,79-,80-,81+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,112-,113-,114-,115-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81531 ([D-Phe2]PACAP-38 | [DPhe2]PACAP(1-38)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C209H335N63O52S/c1-18-114(12)168(268-162(284)105-236-176(295)154(101-163(285)286)262-193(312)147(93-119-43-21-19-22-44-119)255-174(293)130(217)99-125-103-230-108-237-125)204(323)264-152(94-120-45-23-20-24-46-120)198(317)272-169(118(16)275)205(324)265-155(102-164(287)288)197(316)267-157(107-274)200(319)260-151(98-124-64-72-129(279)73-65-124)195(314)266-156(106-273)199(318)249-140(56-41-88-233-208(226)227)186(305)258-149(96-122-60-68-127(277)69-61-122)192(311)248-138(54-39-86-231-206(222)223)182(301)243-133(49-27-34-81-212)179(298)251-143(75-77-159(219)281)188(307)252-144(78-90-325-17)177(296)239-117(15)173(292)269-165(111(6)7)201(320)253-136(52-30-37-84-215)181(300)244-135(51-29-36-83-214)183(302)259-150(97-123-62-70-128(278)71-63-123)194(313)256-146(92-110(4)5)190(309)240-115(13)171(290)238-116(14)172(291)270-166(112(8)9)203(322)263-145(91-109(2)3)175(294)235-104-161(283)241-132(48-26-33-80-211)178(297)245-139(55-40-87-232-207(224)225)185(304)257-148(95-121-58-66-126(276)67-59-121)191(310)247-134(50-28-35-82-213)180(299)250-142(74-76-158(218)280)187(306)246-141(57-42-89-234-209(228)229)189(308)271-167(113(10)11)202(321)254-137(53-31-38-85-216)184(303)261-153(100-160(220)282)196(315)242-131(170(221)289)47-25-32-79-210/h19-24,43-46,58-73,103,108-118,130-157,165-169,273-279H,18,25-42,47-57,74-102,104-107,210-217H2,1-17H3,(H2,218,280)(H2,219,281)(H2,220,282)(H2,221,289)(H,230,237)(H,235,294)(H,236,295)(H,238,290)(H,239,296)(H,240,309)(H,241,283)(H,242,315)(H,243,301)(H,244,300)(H,245,297)(H,246,306)(H,247,310)(H,248,311)(H,249,318)(H,250,299)(H,251,298)(H,252,307)(H,253,320)(H,254,321)(H,255,293)(H,256,313)(H,257,304)(H,258,305)(H,259,302)(H,260,319)(H,261,303)(H,262,312)(H,263,322)(H,264,323)(H,265,324)(H,266,314)(H,267,316)(H,268,284)(H,269,292)(H,270,291)(H,271,308)(H,272,317)(H,285,286)(H,287,288)(H4,222,223,231)(H4,224,225,232)(H4,226,227,233)(H4,228,229,234)/t114?,115-,116-,117-,118+,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147+,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,165-,166-,167-,168-,169-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81535 (CHEMBL525267 | PACAP(6-38)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C182H300N56O45S/c1-95(2)83-128(152(257)207-92-141(249)211-115(40-20-27-72-184)154(259)215-122(47-34-79-204-180(197)198)161(266)226-130(86-105-50-58-109(242)59-51-105)167(272)217-117(42-22-29-74-186)156(261)220-125(66-68-138(191)246)163(268)216-124(49-36-81-206-182(201)202)165(270)237-145(99(9)10)176(281)224-120(45-25-32-77-189)160(265)230-134(90-140(193)248)171(276)212-114(147(194)252)39-19-26-71-183)231-177(282)144(98(7)8)236-149(254)101(12)208-148(253)100(11)210-166(271)129(84-96(3)4)225-169(274)132(88-107-54-62-111(244)63-55-107)228-159(264)118(43-23-30-75-187)214-157(262)119(44-24-31-76-188)223-175(280)143(97(5)6)235-150(255)102(13)209-153(258)127(70-82-284-15)222-164(269)126(67-69-139(192)247)221-155(260)116(41-21-28-73-185)213-158(263)121(46-33-78-203-179(195)196)218-168(273)131(87-106-52-60-110(243)61-53-106)227-162(267)123(48-35-80-205-181(199)200)219-173(278)136(93-239)233-170(275)133(89-108-56-64-112(245)65-57-108)229-174(279)137(94-240)234-172(277)135(91-142(250)251)232-178(283)146(103(14)241)238-151(256)113(190)85-104-37-17-16-18-38-104/h16-18,37-38,50-65,95-103,113-137,143-146,239-245H,19-36,39-49,66-94,183-190H2,1-15H3,(H2,191,246)(H2,192,247)(H2,193,248)(H2,194,252)(H,207,257)(H,208,253)(H,209,258)(H,210,271)(H,211,249)(H,212,276)(H,213,263)(H,214,262)(H,215,259)(H,216,268)(H,217,272)(H,218,273)(H,219,278)(H,220,261)(H,221,260)(H,222,269)(H,223,280)(H,224,281)(H,225,274)(H,226,266)(H,227,267)(H,228,264)(H,229,279)(H,230,265)(H,231,282)(H,232,283)(H,233,275)(H,234,277)(H,235,255)(H,236,254)(H,237,270)(H,238,256)(H,250,251)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)(H4,201,202,206)/t100-,101-,102-,103+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,143-,144-,145-,146-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Eur J Pharmacol 288: 259-67 (1995) Article DOI: 10.1016/0922-4106(95)90037-3 BindingDB Entry DOI: 10.7270/Q2VM49S4 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82356 (PACAP(2-38)) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C197H324N60O52S/c1-18-106(12)157(253-151(270)97-223-165(281)143(94-152(271)272)241-163(279)120(205)98-258)192(308)249-141(88-111-40-20-19-21-41-111)186(302)257-158(110(16)261)193(309)250-144(95-153(273)274)185(301)252-146(100-260)188(304)246-140(92-115-59-67-119(265)68-60-115)183(299)251-145(99-259)187(303)235-130(51-38-83-220-196(214)215)175(291)244-138(90-113-55-63-117(263)64-56-113)181(297)234-128(49-36-81-218-194(210)211)171(287)229-123(44-24-31-76-200)168(284)237-133(70-72-148(207)267)177(293)238-134(73-85-310-17)166(282)225-109(15)162(278)254-154(103(6)7)189(305)239-126(47-27-34-79-203)170(286)230-125(46-26-33-78-202)172(288)245-139(91-114-57-65-118(264)66-58-114)182(298)242-136(87-102(4)5)179(295)226-107(13)160(276)224-108(14)161(277)255-155(104(8)9)191(307)248-135(86-101(2)3)164(280)222-96-150(269)227-122(43-23-30-75-199)167(283)231-129(50-37-82-219-195(212)213)174(290)243-137(89-112-53-61-116(262)62-54-112)180(296)233-124(45-25-32-77-201)169(285)236-132(69-71-147(206)266)176(292)232-131(52-39-84-221-197(216)217)178(294)256-156(105(10)11)190(306)240-127(48-28-35-80-204)173(289)247-142(93-149(208)268)184(300)228-121(159(209)275)42-22-29-74-198/h19-21,40-41,53-68,101-110,120-146,154-158,258-265H,18,22-39,42-52,69-100,198-205H2,1-17H3,(H2,206,266)(H2,207,267)(H2,208,268)(H2,209,275)(H,222,280)(H,223,281)(H,224,276)(H,225,282)(H,226,295)(H,227,269)(H,228,300)(H,229,287)(H,230,286)(H,231,283)(H,232,292)(H,233,296)(H,234,297)(H,235,303)(H,236,285)(H,237,284)(H,238,293)(H,239,305)(H,240,306)(H,241,279)(H,242,298)(H,243,290)(H,244,291)(H,245,288)(H,246,304)(H,247,289)(H,248,307)(H,249,308)(H,250,309)(H,251,299)(H,252,301)(H,253,270)(H,254,278)(H,255,277)(H,256,294)(H,257,302)(H,271,272)(H,273,274)(H4,210,211,218)(H4,212,213,219)(H4,214,215,220)(H4,216,217,221)/t106?,107-,108-,109-,110+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,154-,155-,156-,157-,158-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Eur J Pharmacol 288: 259-67 (1995) Article DOI: 10.1016/0922-4106(95)90037-3 BindingDB Entry DOI: 10.7270/Q2VM49S4 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81536 (PACAP(5-38)) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C188H311N57O46S/c1-18-103(12)147(199)180(287)237-137(88-108-40-20-19-21-41-108)177(284)245-151(107(16)248)184(291)239-139(94-146(257)258)176(283)241-141(97-247)179(286)235-136(92-112-59-67-116(252)68-60-112)174(281)240-140(96-246)178(285)225-126(51-38-83-211-187(205)206)166(273)233-134(90-110-55-63-114(250)64-56-110)172(279)224-124(49-36-81-209-185(201)202)162(269)219-119(44-24-31-76-191)159(266)227-129(70-72-143(197)254)168(275)228-130(73-85-292-17)157(264)215-106(15)155(262)242-148(100(6)7)181(288)229-122(47-27-34-79-194)161(268)220-121(46-26-33-78-193)163(270)234-135(91-111-57-65-115(251)66-58-111)173(280)231-132(87-99(4)5)170(277)216-104(13)153(260)214-105(14)154(261)243-149(101(8)9)183(290)238-131(86-98(2)3)156(263)213-95-145(256)217-118(43-23-30-75-190)158(265)221-125(50-37-82-210-186(203)204)165(272)232-133(89-109-53-61-113(249)62-54-109)171(278)223-120(45-25-32-77-192)160(267)226-128(69-71-142(196)253)167(274)222-127(52-39-84-212-188(207)208)169(276)244-150(102(10)11)182(289)230-123(48-28-35-80-195)164(271)236-138(93-144(198)255)175(282)218-117(152(200)259)42-22-29-74-189/h19-21,40-41,53-68,98-107,117-141,147-151,246-252H,18,22-39,42-52,69-97,189-195,199H2,1-17H3,(H2,196,253)(H2,197,254)(H2,198,255)(H2,200,259)(H,213,263)(H,214,260)(H,215,264)(H,216,277)(H,217,256)(H,218,282)(H,219,269)(H,220,268)(H,221,265)(H,222,274)(H,223,278)(H,224,279)(H,225,285)(H,226,267)(H,227,266)(H,228,275)(H,229,288)(H,230,289)(H,231,280)(H,232,272)(H,233,273)(H,234,270)(H,235,286)(H,236,271)(H,237,287)(H,238,290)(H,239,291)(H,240,281)(H,241,283)(H,242,262)(H,243,261)(H,244,276)(H,245,284)(H,257,258)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)(H4,207,208,212)/t103?,104-,105-,106-,107+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,147-,148-,149-,150-,151-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82452 ([Arg2]PACAP(1-38)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C205H345N69O52S/c1-18-110(12)162(270-156(286)101-238-170(297)148(97-157(287)288)265-177(304)127(48-26-35-82-231-200(218)219)245-168(295)124(213)95-119-99-230-104-239-119)198(325)258-133(49-27-36-83-232-201(220)221)185(312)274-163(114(16)277)199(326)267-149(98-158(289)290)192(319)269-151(103-276)194(321)263-146(94-118-60-68-123(281)69-61-118)190(317)268-150(102-275)193(320)252-136(52-39-86-235-204(226)227)181(308)261-144(92-116-56-64-121(279)65-57-116)188(315)251-134(50-37-84-233-202(222)223)176(303)246-128(43-21-30-77-208)173(300)254-139(71-73-153(215)283)183(310)255-140(74-88-327-17)171(298)241-113(15)167(294)271-159(107(6)7)195(322)256-131(46-24-33-80-211)175(302)247-130(45-23-32-79-210)178(305)262-145(93-117-58-66-122(280)67-59-117)189(316)259-142(90-106(4)5)186(313)242-111(13)165(292)240-112(14)166(293)272-160(108(8)9)197(324)266-141(89-105(2)3)169(296)237-100-155(285)243-126(42-20-29-76-207)172(299)248-135(51-38-85-234-203(224)225)180(307)260-143(91-115-54-62-120(278)63-55-115)187(314)250-129(44-22-31-78-209)174(301)253-138(70-72-152(214)282)182(309)249-137(53-40-87-236-205(228)229)184(311)273-161(109(10)11)196(323)257-132(47-25-34-81-212)179(306)264-147(96-154(216)284)191(318)244-125(164(217)291)41-19-28-75-206/h54-69,99,104-114,124-151,159-163,275-281H,18-53,70-98,100-103,206-213H2,1-17H3,(H2,214,282)(H2,215,283)(H2,216,284)(H2,217,291)(H,230,239)(H,237,296)(H,238,297)(H,240,292)(H,241,298)(H,242,313)(H,243,285)(H,244,318)(H,245,295)(H,246,303)(H,247,302)(H,248,299)(H,249,309)(H,250,314)(H,251,315)(H,252,320)(H,253,301)(H,254,300)(H,255,310)(H,256,322)(H,257,323)(H,258,325)(H,259,316)(H,260,307)(H,261,308)(H,262,305)(H,263,321)(H,264,306)(H,265,304)(H,266,324)(H,267,326)(H,268,317)(H,269,319)(H,270,286)(H,271,294)(H,272,293)(H,273,311)(H,274,312)(H,287,288)(H,289,290)(H4,218,219,231)(H4,220,221,232)(H4,222,223,233)(H4,224,225,234)(H4,226,227,235)(H4,228,229,236)/t110?,111-,112-,113-,114+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81535 (CHEMBL525267 | PACAP(6-38)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C182H300N56O45S/c1-95(2)83-128(152(257)207-92-141(249)211-115(40-20-27-72-184)154(259)215-122(47-34-79-204-180(197)198)161(266)226-130(86-105-50-58-109(242)59-51-105)167(272)217-117(42-22-29-74-186)156(261)220-125(66-68-138(191)246)163(268)216-124(49-36-81-206-182(201)202)165(270)237-145(99(9)10)176(281)224-120(45-25-32-77-189)160(265)230-134(90-140(193)248)171(276)212-114(147(194)252)39-19-26-71-183)231-177(282)144(98(7)8)236-149(254)101(12)208-148(253)100(11)210-166(271)129(84-96(3)4)225-169(274)132(88-107-54-62-111(244)63-55-107)228-159(264)118(43-23-30-75-187)214-157(262)119(44-24-31-76-188)223-175(280)143(97(5)6)235-150(255)102(13)209-153(258)127(70-82-284-15)222-164(269)126(67-69-139(192)247)221-155(260)116(41-21-28-73-185)213-158(263)121(46-33-78-203-179(195)196)218-168(273)131(87-106-52-60-110(243)61-53-106)227-162(267)123(48-35-80-205-181(199)200)219-173(278)136(93-239)233-170(275)133(89-108-56-64-112(245)65-57-108)229-174(279)137(94-240)234-172(277)135(91-142(250)251)232-178(283)146(103(14)241)238-151(256)113(190)85-104-37-17-16-18-38-104/h16-18,37-38,50-65,95-103,113-137,143-146,239-245H,19-36,39-49,66-94,183-190H2,1-15H3,(H2,191,246)(H2,192,247)(H2,193,248)(H2,194,252)(H,207,257)(H,208,253)(H,209,258)(H,210,271)(H,211,249)(H,212,276)(H,213,263)(H,214,262)(H,215,259)(H,216,268)(H,217,272)(H,218,273)(H,219,278)(H,220,261)(H,221,260)(H,222,269)(H,223,280)(H,224,281)(H,225,274)(H,226,266)(H,227,267)(H,228,264)(H,229,279)(H,230,265)(H,231,282)(H,232,283)(H,233,275)(H,234,277)(H,235,255)(H,236,254)(H,237,270)(H,238,256)(H,250,251)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)(H4,201,202,206)/t100-,101-,102-,103+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,143-,144-,145-,146-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Eur J Pharmacol 288: 259-67 (1995) Article DOI: 10.1016/0922-4106(95)90037-3 BindingDB Entry DOI: 10.7270/Q2VM49S4 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81763 (PACAP(3-38)) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C194H319N59O50S/c1-18-105(12)155(249-149(265)97-219-161(274)119(202)93-150(266)267)189(302)245-140(88-110-40-20-19-21-41-110)183(296)253-156(109(16)256)190(303)246-142(95-151(268)269)182(295)248-144(99-255)185(298)242-139(92-114-59-67-118(260)68-60-114)180(293)247-143(98-254)184(297)232-129(51-38-83-217-193(211)212)172(285)240-137(90-112-55-63-116(258)64-56-112)178(291)231-127(49-36-81-215-191(207)208)168(281)226-122(44-24-31-76-197)165(278)234-132(70-72-146(204)262)174(287)235-133(73-85-304-17)163(276)222-108(15)160(273)250-152(102(6)7)186(299)236-125(47-27-34-79-200)167(280)227-124(46-26-33-78-199)169(282)241-138(91-113-57-65-117(259)66-58-113)179(292)238-135(87-101(4)5)176(289)223-106(13)158(271)221-107(14)159(272)251-153(103(8)9)188(301)244-134(86-100(2)3)162(275)220-96-148(264)224-121(43-23-30-75-196)164(277)228-128(50-37-82-216-192(209)210)171(284)239-136(89-111-53-61-115(257)62-54-111)177(290)230-123(45-25-32-77-198)166(279)233-131(69-71-145(203)261)173(286)229-130(52-39-84-218-194(213)214)175(288)252-154(104(10)11)187(300)237-126(48-28-35-80-201)170(283)243-141(94-147(205)263)181(294)225-120(157(206)270)42-22-29-74-195/h19-21,40-41,53-68,100-109,119-144,152-156,254-260H,18,22-39,42-52,69-99,195-202H2,1-17H3,(H2,203,261)(H2,204,262)(H2,205,263)(H2,206,270)(H,219,274)(H,220,275)(H,221,271)(H,222,276)(H,223,289)(H,224,264)(H,225,294)(H,226,281)(H,227,280)(H,228,277)(H,229,286)(H,230,290)(H,231,291)(H,232,297)(H,233,279)(H,234,278)(H,235,287)(H,236,299)(H,237,300)(H,238,292)(H,239,284)(H,240,285)(H,241,282)(H,242,298)(H,243,283)(H,244,301)(H,245,302)(H,246,303)(H,247,293)(H,248,295)(H,249,265)(H,250,273)(H,251,272)(H,252,288)(H,253,296)(H,266,267)(H,268,269)(H4,207,208,215)(H4,209,210,216)(H4,211,212,217)(H4,213,214,218)/t105?,106-,107-,108-,109+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,152-,153-,154-,155-,156-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82446 ([DArg2]PACAP(1-38)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CCCCNC(N)=N)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C205H345N69O52S/c1-18-110(12)162(270-156(286)101-238-170(297)148(97-157(287)288)265-177(304)127(48-26-35-82-231-200(218)219)245-168(295)124(213)95-119-99-230-104-239-119)198(325)258-133(49-27-36-83-232-201(220)221)185(312)274-163(114(16)277)199(326)267-149(98-158(289)290)192(319)269-151(103-276)194(321)263-146(94-118-60-68-123(281)69-61-118)190(317)268-150(102-275)193(320)252-136(52-39-86-235-204(226)227)181(308)261-144(92-116-56-64-121(279)65-57-116)188(315)251-134(50-37-84-233-202(222)223)176(303)246-128(43-21-30-77-208)173(300)254-139(71-73-153(215)283)183(310)255-140(74-88-327-17)171(298)241-113(15)167(294)271-159(107(6)7)195(322)256-131(46-24-33-80-211)175(302)247-130(45-23-32-79-210)178(305)262-145(93-117-58-66-122(280)67-59-117)189(316)259-142(90-106(4)5)186(313)242-111(13)165(292)240-112(14)166(293)272-160(108(8)9)197(324)266-141(89-105(2)3)169(296)237-100-155(285)243-126(42-20-29-76-207)172(299)248-135(51-38-85-234-203(224)225)180(307)260-143(91-115-54-62-120(278)63-55-115)187(314)250-129(44-22-31-78-209)174(301)253-138(70-72-152(214)282)182(309)249-137(53-40-87-236-205(228)229)184(311)273-161(109(10)11)196(323)257-132(47-25-34-81-212)179(306)264-147(96-154(216)284)191(318)244-125(164(217)291)41-19-28-75-206/h54-69,99,104-114,124-151,159-163,275-281H,18-53,70-98,100-103,206-213H2,1-17H3,(H2,214,282)(H2,215,283)(H2,216,284)(H2,217,291)(H,230,239)(H,237,296)(H,238,297)(H,240,292)(H,241,298)(H,242,313)(H,243,285)(H,244,318)(H,245,295)(H,246,303)(H,247,302)(H,248,299)(H,249,309)(H,250,314)(H,251,315)(H,252,320)(H,253,301)(H,254,300)(H,255,310)(H,256,322)(H,257,323)(H,258,325)(H,259,316)(H,260,307)(H,261,308)(H,262,305)(H,263,321)(H,264,306)(H,265,304)(H,266,324)(H,267,326)(H,268,317)(H,269,319)(H,270,286)(H,271,294)(H,272,293)(H,273,311)(H,274,312)(H,287,288)(H,289,290)(H4,218,219,231)(H4,220,221,232)(H4,222,223,233)(H4,224,225,234)(H4,226,227,235)(H4,228,229,236)/t110?,111-,112-,113-,114+,124-,125-,126-,127+,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81528 (PACAP(7-38)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C173H291N55O44S/c1-89(2)78-120(143(246)198-86-133(239)202-107(35-17-24-67-175)145(248)206-114(42-31-74-195-171(188)189)152(255)217-122(80-98-45-53-102(232)54-46-98)158(261)208-109(37-19-26-69-177)147(250)211-117(61-63-130(181)236)154(257)207-116(44-33-76-197-173(192)193)156(259)228-138(93(9)10)168(271)215-112(40-22-29-72-180)151(254)221-126(84-132(183)238)162(265)203-106(139(185)242)34-16-23-66-174)223-169(272)137(92(7)8)227-141(244)95(12)199-140(243)94(11)201-157(260)121(79-90(3)4)216-160(263)124(82-100-49-57-104(234)58-50-100)219-150(253)110(38-20-27-70-178)205-148(251)111(39-21-28-71-179)214-167(270)136(91(5)6)226-142(245)96(13)200-144(247)119(65-77-273-15)213-155(258)118(62-64-131(182)237)212-146(249)108(36-18-25-68-176)204-149(252)113(41-30-73-194-170(186)187)209-159(262)123(81-99-47-55-103(233)56-48-99)218-153(256)115(43-32-75-196-172(190)191)210-164(267)128(87-229)224-161(264)125(83-101-51-59-105(235)60-52-101)220-165(268)129(88-230)225-163(266)127(85-134(240)241)222-166(269)135(184)97(14)231/h45-60,89-97,106-129,135-138,229-235H,16-44,61-88,174-180,184H2,1-15H3,(H2,181,236)(H2,182,237)(H2,183,238)(H2,185,242)(H,198,246)(H,199,243)(H,200,247)(H,201,260)(H,202,239)(H,203,265)(H,204,252)(H,205,251)(H,206,248)(H,207,257)(H,208,261)(H,209,262)(H,210,267)(H,211,250)(H,212,249)(H,213,258)(H,214,270)(H,215,271)(H,216,263)(H,217,255)(H,218,256)(H,219,253)(H,220,268)(H,221,254)(H,222,269)(H,223,272)(H,224,264)(H,225,266)(H,226,245)(H,227,244)(H,228,259)(H,240,241)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)(H4,192,193,197)/t94-,95-,96-,97+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,135-,136-,137-,138-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81534 (PACAP(4-38)) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C190H314N58O47S/c1-18-104(12)152(244-146(259)95-198)185(294)240-138(88-109-40-20-19-21-41-109)179(288)248-153(108(16)251)186(295)241-140(94-148(261)262)178(287)243-142(98-250)181(290)237-137(92-113-59-67-117(255)68-60-113)176(285)242-141(97-249)180(289)227-127(51-38-83-213-189(207)208)168(277)235-135(90-111-55-63-115(253)64-56-111)174(283)226-125(49-36-81-211-187(203)204)164(273)221-120(44-24-31-76-193)161(270)229-130(70-72-144(200)257)170(279)230-131(73-85-296-17)159(268)217-107(15)157(266)245-149(101(6)7)182(291)231-123(47-27-34-79-196)163(272)222-122(46-26-33-78-195)165(274)236-136(91-112-57-65-116(254)66-58-112)175(284)233-133(87-100(4)5)172(281)218-105(13)155(264)216-106(14)156(265)246-150(102(8)9)184(293)239-132(86-99(2)3)158(267)215-96-147(260)219-119(43-23-30-75-192)160(269)223-126(50-37-82-212-188(205)206)167(276)234-134(89-110-53-61-114(252)62-54-110)173(282)225-121(45-25-32-77-194)162(271)228-129(69-71-143(199)256)169(278)224-128(52-39-84-214-190(209)210)171(280)247-151(103(10)11)183(292)232-124(48-28-35-80-197)166(275)238-139(93-145(201)258)177(286)220-118(154(202)263)42-22-29-74-191/h19-21,40-41,53-68,99-108,118-142,149-153,249-255H,18,22-39,42-52,69-98,191-198H2,1-17H3,(H2,199,256)(H2,200,257)(H2,201,258)(H2,202,263)(H,215,267)(H,216,264)(H,217,268)(H,218,281)(H,219,260)(H,220,286)(H,221,273)(H,222,272)(H,223,269)(H,224,278)(H,225,282)(H,226,283)(H,227,289)(H,228,271)(H,229,270)(H,230,279)(H,231,291)(H,232,292)(H,233,284)(H,234,276)(H,235,277)(H,236,274)(H,237,290)(H,238,275)(H,239,293)(H,240,294)(H,241,295)(H,242,285)(H,243,287)(H,244,259)(H,245,266)(H,246,265)(H,247,280)(H,248,288)(H,261,262)(H4,203,204,211)(H4,205,206,212)(H4,207,208,213)(H4,209,210,214)/t104?,105-,106-,107-,108+,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,149-,150-,151-,152-,153-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81536 (PACAP(5-38)) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C188H311N57O46S/c1-18-103(12)147(199)180(287)237-137(88-108-40-20-19-21-41-108)177(284)245-151(107(16)248)184(291)239-139(94-146(257)258)176(283)241-141(97-247)179(286)235-136(92-112-59-67-116(252)68-60-112)174(281)240-140(96-246)178(285)225-126(51-38-83-211-187(205)206)166(273)233-134(90-110-55-63-114(250)64-56-110)172(279)224-124(49-36-81-209-185(201)202)162(269)219-119(44-24-31-76-191)159(266)227-129(70-72-143(197)254)168(275)228-130(73-85-292-17)157(264)215-106(15)155(262)242-148(100(6)7)181(288)229-122(47-27-34-79-194)161(268)220-121(46-26-33-78-193)163(270)234-135(91-111-57-65-115(251)66-58-111)173(280)231-132(87-99(4)5)170(277)216-104(13)153(260)214-105(14)154(261)243-149(101(8)9)183(290)238-131(86-98(2)3)156(263)213-95-145(256)217-118(43-23-30-75-190)158(265)221-125(50-37-82-210-186(203)204)165(272)232-133(89-109-53-61-113(249)62-54-109)171(278)223-120(45-25-32-77-192)160(267)226-128(69-71-142(196)253)167(274)222-127(52-39-84-212-188(207)208)169(276)244-150(102(10)11)182(289)230-123(48-28-35-80-195)164(271)236-138(93-144(198)255)175(282)218-117(152(200)259)42-22-29-74-189/h19-21,40-41,53-68,98-107,117-141,147-151,246-252H,18,22-39,42-52,69-97,189-195,199H2,1-17H3,(H2,196,253)(H2,197,254)(H2,198,255)(H2,200,259)(H,213,263)(H,214,260)(H,215,264)(H,216,277)(H,217,256)(H,218,282)(H,219,269)(H,220,268)(H,221,265)(H,222,274)(H,223,278)(H,224,279)(H,225,285)(H,226,267)(H,227,266)(H,228,275)(H,229,288)(H,230,289)(H,231,280)(H,232,272)(H,233,273)(H,234,270)(H,235,286)(H,236,271)(H,237,287)(H,238,290)(H,239,291)(H,240,281)(H,241,283)(H,242,262)(H,243,261)(H,244,276)(H,245,284)(H,257,258)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)(H4,207,208,212)/t103?,104-,105-,106-,107+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,147-,148-,149-,150-,151-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit´ Libre de Bruxelles Curated by PDSP Ki Database | Mol Pharmacol 42: 347-55 (1992) BindingDB Entry DOI: 10.7270/Q2NZ864G | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81528 (PACAP(7-38)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C173H291N55O44S/c1-89(2)78-120(143(246)198-86-133(239)202-107(35-17-24-67-175)145(248)206-114(42-31-74-195-171(188)189)152(255)217-122(80-98-45-53-102(232)54-46-98)158(261)208-109(37-19-26-69-177)147(250)211-117(61-63-130(181)236)154(257)207-116(44-33-76-197-173(192)193)156(259)228-138(93(9)10)168(271)215-112(40-22-29-72-180)151(254)221-126(84-132(183)238)162(265)203-106(139(185)242)34-16-23-66-174)223-169(272)137(92(7)8)227-141(244)95(12)199-140(243)94(11)201-157(260)121(79-90(3)4)216-160(263)124(82-100-49-57-104(234)58-50-100)219-150(253)110(38-20-27-70-178)205-148(251)111(39-21-28-71-179)214-167(270)136(91(5)6)226-142(245)96(13)200-144(247)119(65-77-273-15)213-155(258)118(62-64-131(182)237)212-146(249)108(36-18-25-68-176)204-149(252)113(41-30-73-194-170(186)187)209-159(262)123(81-99-47-55-103(233)56-48-99)218-153(256)115(43-32-75-196-172(190)191)210-164(267)128(87-229)224-161(264)125(83-101-51-59-105(235)60-52-101)220-165(268)129(88-230)225-163(266)127(85-134(240)241)222-166(269)135(184)97(14)231/h45-60,89-97,106-129,135-138,229-235H,16-44,61-88,174-180,184H2,1-15H3,(H2,181,236)(H2,182,237)(H2,183,238)(H2,185,242)(H,198,246)(H,199,243)(H,200,247)(H,201,260)(H,202,239)(H,203,265)(H,204,252)(H,205,251)(H,206,248)(H,207,257)(H,208,261)(H,209,262)(H,210,267)(H,211,250)(H,212,249)(H,213,258)(H,214,270)(H,215,271)(H,216,263)(H,217,255)(H,218,256)(H,219,253)(H,220,268)(H,221,254)(H,222,269)(H,223,272)(H,224,264)(H,225,266)(H,226,245)(H,227,244)(H,228,259)(H,240,241)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)(H4,192,193,197)/t94-,95-,96-,97+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,135-,136-,137-,138-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit´ Libre de Bruxelles Curated by PDSP Ki Database | Mol Pharmacol 42: 347-55 (1992) BindingDB Entry DOI: 10.7270/Q2NZ864G | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81760 ([Des-His1,Glu3]PACAP-38) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C205H335N63O53S/c1-18-111(12)164(264-158(281)101-231-171(291)128(50-36-55-159(282)283)239-194(314)151(102-269)261-170(290)126(213)96-121-99-226-105-233-121)200(320)259-148(91-116-41-20-19-21-42-116)193(313)268-165(115(16)272)201(321)260-150(98-160(284)285)192(312)263-153(104-271)196(316)256-147(95-120-62-70-125(276)71-63-120)190(310)262-152(103-270)195(315)246-137(53-39-86-229-204(222)223)182(302)254-145(93-118-58-66-123(274)67-59-118)188(308)245-135(51-37-84-227-202(218)219)178(298)240-130(45-24-31-79-208)175(295)248-140(73-75-155(215)278)184(304)249-141(76-88-322-17)173(293)235-114(15)169(289)265-161(108(6)7)197(317)250-133(48-27-34-82-211)177(297)241-132(47-26-33-81-210)179(299)255-146(94-119-60-68-124(275)69-61-119)189(309)252-143(90-107(4)5)186(306)236-112(13)167(287)234-113(14)168(288)266-162(109(8)9)199(319)258-142(89-106(2)3)172(292)232-100-157(280)237-129(44-23-30-78-207)174(294)242-136(52-38-85-228-203(220)221)181(301)253-144(92-117-56-64-122(273)65-57-117)187(307)244-131(46-25-32-80-209)176(296)247-139(72-74-154(214)277)183(303)243-138(54-40-87-230-205(224)225)185(305)267-163(110(10)11)198(318)251-134(49-28-35-83-212)180(300)257-149(97-156(216)279)191(311)238-127(166(217)286)43-22-29-77-206/h19-21,41-42,56-71,99,105-115,126-153,161-165,269-276H,18,22-40,43-55,72-98,100-104,206-213H2,1-17H3,(H2,214,277)(H2,215,278)(H2,216,279)(H2,217,286)(H,226,233)(H,231,291)(H,232,292)(H,234,287)(H,235,293)(H,236,306)(H,237,280)(H,238,311)(H,239,314)(H,240,298)(H,241,297)(H,242,294)(H,243,303)(H,244,307)(H,245,308)(H,246,315)(H,247,296)(H,248,295)(H,249,304)(H,250,317)(H,251,318)(H,252,309)(H,253,301)(H,254,302)(H,255,299)(H,256,316)(H,257,300)(H,258,319)(H,259,320)(H,260,321)(H,261,290)(H,262,310)(H,263,312)(H,264,281)(H,265,289)(H,266,288)(H,267,305)(H,268,313)(H,282,283)(H,284,285)(H4,218,219,227)(H4,220,221,228)(H4,222,223,229)(H4,224,225,230)/t111?,112-,113-,114-,115+,126+,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,161-,162-,163-,164-,165-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit´ Libre de Bruxelles Curated by PDSP Ki Database | Mol Pharmacol 42: 347-55 (1992) BindingDB Entry DOI: 10.7270/Q2NZ864G | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82361 (PACAP(2-27)) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r| Show InChI InChI=1S/C137H219N37O38S/c1-16-73(10)109(171-104(183)65-150-116(193)91(48-50-105(184)185)154-115(192)85(141)66-175)134(211)167-99(60-78-28-18-17-19-29-78)129(206)174-110(77(14)178)135(212)168-100(64-106(186)187)128(205)170-102(68-177)131(208)166-98(63-81-39-45-84(181)46-40-81)127(204)169-101(67-176)130(207)158-90(34-27-56-149-137(146)147)122(199)164-96(61-79-35-41-82(179)42-36-79)125(202)157-89(33-26-55-148-136(144)145)120(197)155-86(30-20-23-52-138)118(195)159-92(47-49-103(142)182)123(200)160-93(51-57-213-15)117(194)152-76(13)114(191)172-107(71(6)7)132(209)161-88(32-22-25-54-140)119(196)156-87(31-21-24-53-139)121(198)165-97(62-80-37-43-83(180)44-38-80)126(203)163-95(59-70(4)5)124(201)153-74(11)112(189)151-75(12)113(190)173-108(72(8)9)133(210)162-94(111(143)188)58-69(2)3/h17-19,28-29,35-46,69-77,85-102,107-110,175-181H,16,20-27,30-34,47-68,138-141H2,1-15H3,(H2,142,182)(H2,143,188)(H,150,193)(H,151,189)(H,152,194)(H,153,201)(H,154,192)(H,155,197)(H,156,196)(H,157,202)(H,158,207)(H,159,195)(H,160,200)(H,161,209)(H,162,210)(H,163,203)(H,164,199)(H,165,198)(H,166,208)(H,167,211)(H,168,212)(H,169,204)(H,170,205)(H,171,183)(H,172,191)(H,173,190)(H,174,206)(H,184,185)(H,186,187)(H4,144,145,148)(H4,146,147,149)/t73?,74-,75-,76-,77+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,107-,108-,109-,110-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81762 (PACAP(8-38)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C169H284N54O42S/c1-88(2)77-119(141(241)194-85-131(233)198-106(34-16-23-66-171)143(243)202-113(41-30-73-191-167(184)185)150(250)213-121(79-96-44-52-100(226)53-45-96)156(256)204-108(36-18-25-68-173)145(245)207-116(60-62-128(178)230)152(252)203-115(43-32-75-193-169(188)189)154(254)223-135(92(9)10)164(264)211-111(39-21-28-71-176)149(249)217-125(84-130(180)232)160(260)199-105(136(181)236)33-15-22-65-170)218-165(265)134(91(7)8)222-138(238)94(12)195-137(237)93(11)197-155(255)120(78-89(3)4)212-158(258)123(81-98-48-56-102(228)57-49-98)215-148(248)109(37-19-26-69-174)201-146(246)110(38-20-27-70-175)210-163(263)133(90(5)6)221-139(239)95(13)196-142(242)118(64-76-266-14)209-153(253)117(61-63-129(179)231)208-144(244)107(35-17-24-67-172)200-147(247)112(40-29-72-190-166(182)183)205-157(257)122(80-97-46-54-101(227)55-47-97)214-151(251)114(42-31-74-192-168(186)187)206-161(261)127(87-225)220-159(259)124(82-99-50-58-103(229)59-51-99)216-162(262)126(86-224)219-140(240)104(177)83-132(234)235/h44-59,88-95,104-127,133-135,224-229H,15-43,60-87,170-177H2,1-14H3,(H2,178,230)(H2,179,231)(H2,180,232)(H2,181,236)(H,194,241)(H,195,237)(H,196,242)(H,197,255)(H,198,233)(H,199,260)(H,200,247)(H,201,246)(H,202,243)(H,203,252)(H,204,256)(H,205,257)(H,206,261)(H,207,245)(H,208,244)(H,209,253)(H,210,263)(H,211,264)(H,212,258)(H,213,250)(H,214,251)(H,215,248)(H,216,262)(H,217,249)(H,218,265)(H,219,240)(H,220,259)(H,221,239)(H,222,238)(H,223,254)(H,234,235)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)(H4,188,189,193)/t93-,94-,95-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,133-,134-,135-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81765 (PACAP(9-38)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C165H279N53O39S/c1-87(2)77-118(138(234)190-84-129(228)194-105(34-16-23-66-167)140(236)198-112(41-30-73-187-163(180)181)147(243)210-121(80-96-46-54-100(222)55-47-96)153(249)200-107(36-18-25-68-169)142(238)203-115(60-62-126(174)225)149(245)199-114(43-32-75-189-165(184)185)151(247)218-132(91(9)10)160(256)207-110(39-21-28-71-172)146(242)213-124(83-128(176)227)157(253)195-104(133(177)229)33-15-22-65-166)214-161(257)131(90(7)8)217-135(231)93(12)191-134(230)92(11)193-152(248)119(78-88(3)4)209-155(251)123(82-98-50-58-102(224)59-51-98)212-145(241)108(37-19-26-69-170)197-143(239)109(38-20-27-70-171)206-159(255)130(89(5)6)216-136(232)94(13)192-139(235)117(64-76-258-14)205-150(246)116(61-63-127(175)226)204-141(237)106(35-17-24-67-168)196-144(240)111(40-29-72-186-162(178)179)201-154(250)122(81-97-48-56-101(223)57-49-97)211-148(244)113(42-31-74-188-164(182)183)202-158(254)125(86-220)215-156(252)120(208-137(233)103(173)85-219)79-95-44-52-99(221)53-45-95/h44-59,87-94,103-125,130-132,219-224H,15-43,60-86,166-173H2,1-14H3,(H2,174,225)(H2,175,226)(H2,176,227)(H2,177,229)(H,190,234)(H,191,230)(H,192,235)(H,193,248)(H,194,228)(H,195,253)(H,196,240)(H,197,239)(H,198,236)(H,199,245)(H,200,249)(H,201,250)(H,202,254)(H,203,238)(H,204,237)(H,205,246)(H,206,255)(H,207,256)(H,208,233)(H,209,251)(H,210,243)(H,211,244)(H,212,241)(H,213,242)(H,214,257)(H,215,252)(H,216,232)(H,217,231)(H,218,247)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)(H4,184,185,189)/t92-,93-,94-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,130-,131-,132-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81531 ([D-Phe2]PACAP-38 | [DPhe2]PACAP(1-38)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C209H335N63O52S/c1-18-114(12)168(268-162(284)105-236-176(295)154(101-163(285)286)262-193(312)147(93-119-43-21-19-22-44-119)255-174(293)130(217)99-125-103-230-108-237-125)204(323)264-152(94-120-45-23-20-24-46-120)198(317)272-169(118(16)275)205(324)265-155(102-164(287)288)197(316)267-157(107-274)200(319)260-151(98-124-64-72-129(279)73-65-124)195(314)266-156(106-273)199(318)249-140(56-41-88-233-208(226)227)186(305)258-149(96-122-60-68-127(277)69-61-122)192(311)248-138(54-39-86-231-206(222)223)182(301)243-133(49-27-34-81-212)179(298)251-143(75-77-159(219)281)188(307)252-144(78-90-325-17)177(296)239-117(15)173(292)269-165(111(6)7)201(320)253-136(52-30-37-84-215)181(300)244-135(51-29-36-83-214)183(302)259-150(97-123-62-70-128(278)71-63-123)194(313)256-146(92-110(4)5)190(309)240-115(13)171(290)238-116(14)172(291)270-166(112(8)9)203(322)263-145(91-109(2)3)175(294)235-104-161(283)241-132(48-26-33-80-211)178(297)245-139(55-40-87-232-207(224)225)185(304)257-148(95-121-58-66-126(276)67-59-121)191(310)247-134(50-28-35-82-213)180(299)250-142(74-76-158(218)280)187(306)246-141(57-42-89-234-209(228)229)189(308)271-167(113(10)11)202(321)254-137(53-31-38-85-216)184(303)261-153(100-160(220)282)196(315)242-131(170(221)289)47-25-32-79-210/h19-24,43-46,58-73,103,108-118,130-157,165-169,273-279H,18,25-42,47-57,74-102,104-107,210-217H2,1-17H3,(H2,218,280)(H2,219,281)(H2,220,282)(H2,221,289)(H,230,237)(H,235,294)(H,236,295)(H,238,290)(H,239,296)(H,240,309)(H,241,283)(H,242,315)(H,243,301)(H,244,300)(H,245,297)(H,246,306)(H,247,310)(H,248,311)(H,249,318)(H,250,299)(H,251,298)(H,252,307)(H,253,320)(H,254,321)(H,255,293)(H,256,313)(H,257,304)(H,258,305)(H,259,302)(H,260,319)(H,261,303)(H,262,312)(H,263,322)(H,264,323)(H,265,324)(H,266,314)(H,267,316)(H,268,284)(H,269,292)(H,270,291)(H,271,308)(H,272,317)(H,285,286)(H,287,288)(H4,222,223,231)(H4,224,225,232)(H4,226,227,233)(H4,228,229,234)/t114?,115-,116-,117-,118+,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147+,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,165-,166-,167-,168-,169-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit´ Libre de Bruxelles Curated by PDSP Ki Database | Mol Pharmacol 42: 347-55 (1992) BindingDB Entry DOI: 10.7270/Q2NZ864G | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81823 (CAS_444121 | GTP[S] | NSC_444121) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(S)=O)C(O)C1O Show InChI InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georg-August-University Curated by PDSP Ki Database | Eur J Biochem 202: 951-8 (1991) Article DOI: 10.1111/j.1432-1033.1991.tb16455.x BindingDB Entry DOI: 10.7270/Q2PR7TG8 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81533 ([Phe2]PACAP(1-27)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:53.55,68.70,86.89,103.106,126.130,144.148,157.161,173.177,194.199,207.213,219.224,54.58,4.4,12.16,31.32,wD:42.43,60.62,74.76,92.95,115.119,152.157,182.186,202.208,212.217,135.139,164.168,20.28,(-14.46,-50.6,;-14.44,-52.33,;-15.67,-53.24,;-17,-52.47,;-15.67,-54.78,;-17,-55.55,;-18.34,-54.78,;-18.34,-53.24,;-19.43,-55.87,;-20.76,-55.1,;-22.14,-55.94,;-22.14,-57.48,;-23.47,-55.17,;-23.47,-53.63,;-24.56,-52.54,;-23.87,-51.12,;-26.35,-52.55,;-24.56,-56.25,;-25.89,-55.48,;-25.96,-54.17,;-27.23,-56.25,;-27.23,-57.79,;-25.89,-58.56,;-25.89,-60.1,;-24.56,-60.87,;-23.23,-60.1,;-23.23,-58.56,;-24.56,-57.79,;-28.56,-55.48,;-29.65,-56.57,;-29.65,-58.11,;-30.98,-55.8,;-32.07,-56.89,;-30.98,-54.26,;-32.32,-53.49,;-31.84,-52.03,;-33.09,-51.12,;-34.33,-52.03,;-33.86,-53.49,;-14.34,-55.55,;-14.41,-57.12,;-13,-54.78,;-11.67,-55.55,;-11.67,-57.09,;-10.34,-57.86,;-9,-57.09,;-7.66,-57.86,;-7.66,-59.41,;-9,-60.18,;-10.34,-59.41,;-10.34,-54.78,;-10.34,-53.24,;-9,-55.55,;-7.67,-54.78,;-7.67,-53.24,;-9,-52.47,;-6.33,-52.47,;-6.33,-55.55,;-6.33,-57.09,;-5,-54.78,;-3.67,-55.55,;-3.67,-57.09,;-2.33,-57.86,;-1,-57.09,;-2.33,-59.4,;-2.33,-54.78,;-2.33,-53.24,;-1,-55.55,;.33,-54.78,;.33,-53.24,;1.67,-52.47,;1.67,-55.55,;1.67,-57.09,;3,-54.78,;4.34,-55.55,;4.34,-57.09,;5.67,-57.86,;7.01,-57.09,;8.35,-57.86,;8.35,-59.41,;9.68,-60.18,;7.01,-60.18,;5.67,-59.41,;5.67,-54.78,;5.67,-53.24,;7,-55.55,;8.34,-54.78,;8.34,-53.24,;9.67,-52.47,;9.67,-55.55,;9.67,-57.09,;11,-54.78,;12.34,-55.55,;12.34,-57.09,;13.67,-57.86,;13.67,-59.4,;15,-60.17,;15,-61.71,;13.67,-62.48,;16.34,-62.48,;13.67,-54.78,;13.67,-53.24,;15,-55.55,;16.34,-54.78,;16.34,-53.24,;17.67,-52.47,;19.01,-53.25,;20.35,-52.47,;20.35,-50.93,;21.68,-50.16,;19.01,-50.16,;17.67,-50.93,;17.67,-55.55,;17.67,-57.09,;19.01,-54.78,;20.34,-55.55,;20.34,-57.09,;21.67,-57.86,;21.67,-59.4,;23.01,-60.17,;23.01,-61.71,;21.67,-62.48,;24.34,-62.48,;21.67,-54.78,;21.67,-53.24,;23.01,-55.55,;24.34,-54.78,;24.34,-53.24,;25.67,-52.47,;25.67,-50.93,;27.01,-50.16,;27.01,-48.62,;25.67,-55.55,;25.67,-57.09,;27.01,-54.78,;28.34,-55.55,;28.34,-57.09,;29.67,-57.86,;29.67,-59.4,;28.34,-60.17,;31.01,-60.17,;29.67,-54.78,;29.67,-53.24,;31.01,-55.55,;32.34,-54.78,;32.34,-53.24,;33.68,-52.47,;33.68,-50.93,;35.01,-50.16,;33.68,-55.55,;33.68,-57.09,;35.01,-54.78,;36.34,-55.55,;36.34,-57.09,;37.68,-54.78,;37.68,-53.24,;39.01,-55.55,;40.34,-54.78,;40.34,-53.24,;41.68,-52.47,;39.01,-52.47,;41.68,-55.55,;41.68,-57.09,;43.01,-54.78,;44.34,-55.55,;44.34,-57.09,;45.68,-57.86,;45.68,-59.4,;47.01,-60.17,;47.01,-61.71,;45.68,-54.78,;45.68,-53.24,;47.01,-55.55,;48.35,-54.78,;48.35,-53.24,;49.68,-52.47,;49.68,-50.93,;51.01,-50.16,;51.01,-48.62,;49.68,-55.55,;49.68,-57.09,;51.01,-54.78,;52.35,-55.55,;52.35,-57.09,;53.68,-57.86,;55.02,-57.09,;56.36,-57.86,;56.36,-59.41,;57.69,-60.18,;55.02,-60.18,;53.68,-59.41,;53.68,-54.78,;53.68,-53.24,;55.01,-55.55,;56.35,-54.78,;56.35,-53.24,;57.68,-52.47,;57.68,-50.93,;59.01,-53.24,;57.68,-55.55,;57.68,-57.09,;59.01,-54.78,;60.35,-55.55,;60.35,-57.09,;61.68,-54.78,;61.68,-53.24,;63.02,-55.55,;64.35,-54.78,;64.35,-53.24,;65.68,-55.55,;65.68,-57.09,;67.02,-54.78,;68.35,-55.55,;68.35,-57.09,;69.68,-57.86,;67.02,-57.86,;69.68,-54.78,;69.68,-53.24,;71.02,-55.55,;72.35,-54.78,;72.35,-53.24,;73.68,-52.47,;73.68,-50.93,;75.02,-53.24,;73.68,-55.55,;75.02,-54.78,;73.68,-57.09,)| Show InChI InChI=1S/C148H228N40O38S/c1-16-80(10)119(185-114(196)72-162-126(206)109(69-115(197)198)180-136(216)104(63-85-31-19-17-20-32-85)175-125(205)94(152)68-90-71-159-75-163-90)145(225)181-108(64-86-33-21-18-22-34-86)140(220)188-120(84(14)191)146(226)182-110(70-116(199)200)139(219)184-112(74-190)142(222)179-107(67-89-44-50-93(194)51-45-89)138(218)183-111(73-189)141(221)170-99(39-30-59-161-148(157)158)132(212)177-105(65-87-40-46-91(192)47-41-87)135(215)169-98(38-29-58-160-147(155)156)130(210)167-95(35-23-26-55-149)128(208)171-100(52-53-113(153)195)133(213)172-101(54-60-227-15)127(207)165-83(13)124(204)186-117(78(6)7)143(223)173-97(37-25-28-57-151)129(209)168-96(36-24-27-56-150)131(211)178-106(66-88-42-48-92(193)49-43-88)137(217)176-103(62-77(4)5)134(214)166-81(11)122(202)164-82(12)123(203)187-118(79(8)9)144(224)174-102(121(154)201)61-76(2)3/h17-22,31-34,40-51,71,75-84,94-112,117-120,189-194H,16,23-30,35-39,52-70,72-74,149-152H2,1-15H3,(H2,153,195)(H2,154,201)(H,159,163)(H,162,206)(H,164,202)(H,165,207)(H,166,214)(H,167,210)(H,168,209)(H,169,215)(H,170,221)(H,171,208)(H,172,213)(H,173,223)(H,174,224)(H,175,205)(H,176,217)(H,177,212)(H,178,211)(H,179,222)(H,180,216)(H,181,225)(H,182,226)(H,183,218)(H,184,219)(H,185,196)(H,186,204)(H,187,203)(H,188,220)(H,197,198)(H,199,200)(H4,155,156,160)(H4,157,158,161)/t80?,81-,82-,83-,84+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81828 (CAS_37221-79-7 | VIP(4-28) | Vasoactive intestinal...) Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O |(16.32,19.93,;16.32,18.39,;17.66,17.62,;18.99,18.39,;17.66,16.08,;18.99,15.31,;20.53,16.08,;20.53,17.62,;21.86,15.31,;21.86,13.77,;20.53,13,;23.2,16.08,;24.74,15.31,;24.74,13.77,;26.07,16.08,;26.07,17.62,;24.74,18.39,;24.74,19.93,;23.4,17.62,;27.41,15.31,;28.95,16.08,;28.95,17.62,;30.28,15.31,;30.28,13.77,;28.95,13,;28.95,11.46,;27.61,13.77,;31.61,16.08,;33.15,15.31,;33.15,13.77,;34.49,16.08,;34.49,17.62,;35.82,18.39,;37.15,17.62,;38.49,18.39,;38.49,19.93,;39.82,20.7,;37.15,20.7,;35.82,19.93,;35.82,15.31,;35.1,4.53,;35.1,2.99,;33.76,5.3,;33.76,6.84,;35.1,7.61,;36.43,6.84,;37.77,7.61,;39.1,6.84,;32.43,4.53,;30.89,5.3,;30.89,6.84,;29.56,4.53,;29.56,2.99,;30.89,2.22,;30.89,.68,;32.22,-.09,;33.56,.68,;28.22,5.3,;26.68,4.53,;26.68,2.99,;25.35,5.3,;24.02,4.53,;22.48,5.3,;22.48,6.84,;21.14,4.53,;21.14,2.99,;19.81,5.3,;18.27,4.53,;18.27,2.99,;16.93,5.3,;16.93,6.84,;18.27,7.61,;18.27,9.15,;16.93,9.92,;15.6,4.53,;14.06,5.3,;14.06,6.84,;12.73,4.53,;12.73,2.99,;14.06,2.22,;14.06,.68,;12.73,-.09,;15.39,-.09,;11.39,5.3,;9.85,4.53,;9.85,2.99,;8.52,5.3,;8.52,6.84,;7.19,7.61,;7.19,9.15,;5.85,9.92,;4.52,9.15,;7.19,4.53,;7.91,-6.25,;7.91,-7.79,;9.24,-5.48,;9.24,-3.94,;7.91,-3.17,;7.91,-1.63,;6.57,-.86,;5.24,-1.63,;3.91,-.86,;5.24,-3.17,;10.58,-6.25,;12.12,-5.48,;12.12,-3.94,;13.45,-6.25,;13.45,-7.79,;12.12,-8.56,;12.12,-10.1,;10.78,-7.79,;14.78,-5.48,;16.32,-6.25,;16.32,-7.79,;17.66,-5.48,;17.66,-3.94,;16.32,-3.17,;16.32,-1.63,;17.66,-.86,;17.66,.68,;18.99,1.45,;16.32,1.45,;18.99,-6.25,;20.53,-5.48,;20.53,-3.94,;21.86,-6.25,;23.2,-5.48,;24.74,-6.25,;24.74,-7.79,;26.07,-5.48,;26.07,-3.94,;24.74,-3.17,;24.74,-1.63,;23.4,-.86,;22.07,-1.63,;20.74,-.86,;22.07,-3.17,;23.4,-3.94,;27.41,-6.25,;28.95,-5.48,;28.95,-3.94,;30.28,-6.25,;30.28,-7.79,;28.95,-8.56,;28.95,-10.1,;27.61,-7.79,;31.61,-5.48,;33.15,-6.25,;33.15,-7.79,;34.49,-5.48,;34.49,-3.94,;35.82,-3.17,;35.82,-1.63,;37.15,-3.94,;35.82,-6.25,;35.1,-17.03,;35.1,-18.57,;33.76,-16.26,;32.43,-17.03,;30.89,-16.26,;30.89,-14.72,;29.56,-17.03,;29.56,-18.57,;30.89,-19.34,;30.89,-20.88,;32.22,-21.65,;33.56,-20.88,;33.56,-19.34,;32.22,-18.57,;28.22,-16.26,;26.68,-17.03,;26.68,-18.57,;25.35,-16.26,;24.02,-17.03,;22.48,-16.26,;22.48,-14.72,;21.14,-17.03,;21.14,-18.57,;19.81,-16.26,;18.27,-17.03,;18.27,-18.57,;16.93,-16.26,;16.93,-14.72,;18.27,-13.95,;18.27,-12.41,;19.6,-14.72,;15.6,-17.03,;14.06,-16.26,;14.06,-14.72,;12.73,-17.03,;12.73,-18.57,;14.06,-19.34,;11.39,-16.26,;9.85,-17.03,;9.85,-18.57,;8.52,-16.26,;7.19,-17.03,;8.52,-14.72,;7.19,-13.95,;7.03,-12.42,;5.52,-12.1,;4.75,-13.43,;5.78,-14.58,;25.35,-14.72,;26.68,-13.95,;24.02,-13.95,;33.76,-14.72,;32.43,-13.95,;35.1,-13.95,;21.86,-7.79,;23.2,-8.56,;20.53,-8.56,;25.35,6.84,;26.68,7.61,;24.02,7.61,;16.32,15.31,;16.32,13.77,;14.78,16.08,;13.45,15.31,;13.45,13.77,;12.12,13,;12.12,11.46,;10.78,13.77,;12.12,16.08,;12.12,17.62,;10.58,15.31,;9.24,16.08,;9.24,17.62,;7.91,18.39,;7.91,19.93,;6.57,17.62,;7.91,15.31,;6.57,16.08,;7.91,13.77,)| Show InChI InChI=1S/C147H237N43O43S/c1-18-75(12)115(142(229)180-96(56-72(6)7)131(218)183-104(145(232)233)63-110(155)200)188-139(226)106(68-192)185-134(221)101(62-109(154)199)177-130(217)95(55-71(4)5)174-132(219)97(58-81-37-41-84(195)42-38-81)175-125(212)88(33-23-26-49-149)167-123(210)89(34-24-27-50-150)171-140(227)113(73(8)9)186-118(205)76(13)164-121(208)93(47-53-234-17)170-127(214)92(45-46-107(152)197)169-122(209)87(32-22-25-48-148)166-124(211)90(35-28-51-161-146(156)157)168-129(216)94(54-70(2)3)173-126(213)91(36-29-52-162-147(158)159)172-143(230)116(78(15)193)189-136(223)98(59-82-39-43-85(196)44-40-82)176-133(220)100(61-108(153)198)178-135(222)103(65-112(203)204)182-144(231)117(79(16)194)190-137(224)99(57-80-30-20-19-21-31-80)181-141(228)114(74(10)11)187-119(206)77(14)165-128(215)102(64-111(201)202)179-138(225)105(67-191)184-120(207)86(151)60-83-66-160-69-163-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,191-196H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,197)(H2,153,198)(H2,154,199)(H2,155,200)(H,160,163)(H,164,208)(H,165,215)(H,166,211)(H,167,210)(H,168,216)(H,169,209)(H,170,214)(H,171,227)(H,172,230)(H,173,213)(H,174,219)(H,175,212)(H,176,220)(H,177,217)(H,178,222)(H,179,225)(H,180,229)(H,181,228)(H,182,231)(H,183,218)(H,184,207)(H,185,221)(H,186,205)(H,187,206)(H,188,226)(H,189,223)(H,190,224)(H,201,202)(H,203,204)(H,232,233)(H4,156,157,161)(H4,158,159,162) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Eur J Pharmacol 288: 259-67 (1995) Article DOI: 10.1016/0922-4106(95)90037-3 BindingDB Entry DOI: 10.7270/Q2VM49S4 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82444 (PACAP(10-38)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C162H274N52O37S/c1-86(2)77-117(136(229)187-84-127(223)191-104(34-16-23-66-164)138(231)195-111(41-30-73-184-160(177)178)145(238)206-119(80-95-46-54-99(217)55-47-95)151(244)197-106(36-18-25-68-166)140(233)200-114(60-62-124(171)220)147(240)196-113(43-32-75-186-162(181)182)149(242)214-130(90(9)10)157(250)204-109(39-21-28-71-169)144(237)209-122(83-126(173)222)154(247)192-103(131(174)224)33-15-22-65-163)210-158(251)129(89(7)8)213-133(226)92(12)188-132(225)91(11)190-150(243)118(78-87(3)4)205-153(246)121(82-97-50-58-101(219)59-51-97)208-143(236)107(37-19-26-69-167)194-141(234)108(38-20-27-70-168)203-156(249)128(88(5)6)212-134(227)93(13)189-137(230)116(64-76-252-14)202-148(241)115(61-63-125(172)221)201-139(232)105(35-17-24-67-165)193-142(235)110(40-29-72-183-159(175)176)198-152(245)120(81-96-48-56-100(218)57-49-96)207-146(239)112(42-31-74-185-161(179)180)199-155(248)123(85-215)211-135(228)102(170)79-94-44-52-98(216)53-45-94/h44-59,86-93,102-123,128-130,215-219H,15-43,60-85,163-170H2,1-14H3,(H2,171,220)(H2,172,221)(H2,173,222)(H2,174,224)(H,187,229)(H,188,225)(H,189,230)(H,190,243)(H,191,223)(H,192,247)(H,193,235)(H,194,234)(H,195,231)(H,196,240)(H,197,244)(H,198,245)(H,199,248)(H,200,233)(H,201,232)(H,202,241)(H,203,249)(H,204,250)(H,205,246)(H,206,238)(H,207,239)(H,208,236)(H,209,237)(H,210,251)(H,211,228)(H,212,227)(H,213,226)(H,214,242)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)(H4,181,182,186)/t91-,92-,93-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,128-,129-,130-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82453 (PACAP(11-38)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C153H265N51O35S/c1-81(2)73-110(128(218)178-79-119(212)182-97(34-16-23-62-155)130(220)187-105(42-31-70-176-152(170)171)138(228)198-112(75-89-44-50-92(206)51-45-89)143(233)189-99(36-18-25-64-157)132(222)191-107(56-58-116(162)209)139(229)188-106(43-32-71-177-153(172)173)141(231)204-122(85(9)10)148(238)195-102(39-21-28-67-160)136(226)200-115(78-118(164)211)146(236)183-96(123(165)213)33-15-22-61-154)201-149(239)121(84(7)8)203-125(215)87(12)179-124(214)86(11)181-142(232)111(74-82(3)4)196-145(235)114(77-91-48-54-94(208)55-49-91)199-135(225)100(37-19-26-65-158)186-133(223)101(38-20-27-66-159)194-147(237)120(83(5)6)202-126(216)88(13)180-129(219)109(60-72-240-14)193-140(230)108(57-59-117(163)210)192-131(221)98(35-17-24-63-156)185-134(224)104(41-30-69-175-151(168)169)190-144(234)113(76-90-46-52-93(207)53-47-90)197-137(227)103(40-29-68-174-150(166)167)184-127(217)95(161)80-205/h44-55,81-88,95-115,120-122,205-208H,15-43,56-80,154-161H2,1-14H3,(H2,162,209)(H2,163,210)(H2,164,211)(H2,165,213)(H,178,218)(H,179,214)(H,180,219)(H,181,232)(H,182,212)(H,183,236)(H,184,217)(H,185,224)(H,186,223)(H,187,220)(H,188,229)(H,189,233)(H,190,234)(H,191,222)(H,192,221)(H,193,230)(H,194,237)(H,195,238)(H,196,235)(H,197,227)(H,198,228)(H,199,225)(H,200,226)(H,201,239)(H,202,216)(H,203,215)(H,204,231)(H4,166,167,174)(H4,168,169,175)(H4,170,171,176)(H4,172,173,177)/t86-,87-,88-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,120-,121-,122-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81535 (CHEMBL525267 | PACAP(6-38)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C182H300N56O45S/c1-95(2)83-128(152(257)207-92-141(249)211-115(40-20-27-72-184)154(259)215-122(47-34-79-204-180(197)198)161(266)226-130(86-105-50-58-109(242)59-51-105)167(272)217-117(42-22-29-74-186)156(261)220-125(66-68-138(191)246)163(268)216-124(49-36-81-206-182(201)202)165(270)237-145(99(9)10)176(281)224-120(45-25-32-77-189)160(265)230-134(90-140(193)248)171(276)212-114(147(194)252)39-19-26-71-183)231-177(282)144(98(7)8)236-149(254)101(12)208-148(253)100(11)210-166(271)129(84-96(3)4)225-169(274)132(88-107-54-62-111(244)63-55-107)228-159(264)118(43-23-30-75-187)214-157(262)119(44-24-31-76-188)223-175(280)143(97(5)6)235-150(255)102(13)209-153(258)127(70-82-284-15)222-164(269)126(67-69-139(192)247)221-155(260)116(41-21-28-73-185)213-158(263)121(46-33-78-203-179(195)196)218-168(273)131(87-106-52-60-110(243)61-53-106)227-162(267)123(48-35-80-205-181(199)200)219-173(278)136(93-239)233-170(275)133(89-108-56-64-112(245)65-57-108)229-174(279)137(94-240)234-172(277)135(91-142(250)251)232-178(283)146(103(14)241)238-151(256)113(190)85-104-37-17-16-18-38-104/h16-18,37-38,50-65,95-103,113-137,143-146,239-245H,19-36,39-49,66-94,183-190H2,1-15H3,(H2,191,246)(H2,192,247)(H2,193,248)(H2,194,252)(H,207,257)(H,208,253)(H,209,258)(H,210,271)(H,211,249)(H,212,276)(H,213,263)(H,214,262)(H,215,259)(H,216,268)(H,217,272)(H,218,273)(H,219,278)(H,220,261)(H,221,260)(H,222,269)(H,223,280)(H,224,281)(H,225,274)(H,226,266)(H,227,267)(H,228,264)(H,229,279)(H,230,265)(H,231,282)(H,232,283)(H,233,275)(H,234,277)(H,235,255)(H,236,254)(H,237,270)(H,238,256)(H,250,251)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)(H4,201,202,206)/t100-,101-,102-,103+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,143-,144-,145-,146-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit´ Libre de Bruxelles Curated by PDSP Ki Database | Mol Pharmacol 42: 347-55 (1992) BindingDB Entry DOI: 10.7270/Q2NZ864G | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81528 (PACAP(7-38)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C173H291N55O44S/c1-89(2)78-120(143(246)198-86-133(239)202-107(35-17-24-67-175)145(248)206-114(42-31-74-195-171(188)189)152(255)217-122(80-98-45-53-102(232)54-46-98)158(261)208-109(37-19-26-69-177)147(250)211-117(61-63-130(181)236)154(257)207-116(44-33-76-197-173(192)193)156(259)228-138(93(9)10)168(271)215-112(40-22-29-72-180)151(254)221-126(84-132(183)238)162(265)203-106(139(185)242)34-16-23-66-174)223-169(272)137(92(7)8)227-141(244)95(12)199-140(243)94(11)201-157(260)121(79-90(3)4)216-160(263)124(82-100-49-57-104(234)58-50-100)219-150(253)110(38-20-27-70-178)205-148(251)111(39-21-28-71-179)214-167(270)136(91(5)6)226-142(245)96(13)200-144(247)119(65-77-273-15)213-155(258)118(62-64-131(182)237)212-146(249)108(36-18-25-68-176)204-149(252)113(41-30-73-194-170(186)187)209-159(262)123(81-99-47-55-103(233)56-48-99)218-153(256)115(43-32-75-196-172(190)191)210-164(267)128(87-229)224-161(264)125(83-101-51-59-105(235)60-52-101)220-165(268)129(88-230)225-163(266)127(85-134(240)241)222-166(269)135(184)97(14)231/h45-60,89-97,106-129,135-138,229-235H,16-44,61-88,174-180,184H2,1-15H3,(H2,181,236)(H2,182,237)(H2,183,238)(H2,185,242)(H,198,246)(H,199,243)(H,200,247)(H,201,260)(H,202,239)(H,203,265)(H,204,252)(H,205,251)(H,206,248)(H,207,257)(H,208,261)(H,209,262)(H,210,267)(H,211,250)(H,212,249)(H,213,258)(H,214,270)(H,215,271)(H,216,263)(H,217,255)(H,218,256)(H,219,253)(H,220,268)(H,221,254)(H,222,269)(H,223,272)(H,224,264)(H,225,266)(H,226,245)(H,227,244)(H,228,259)(H,240,241)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)(H4,192,193,197)/t94-,95-,96-,97+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,135-,136-,137-,138-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit´ Libre de Bruxelles Curated by PDSP Ki Database | Mol Pharmacol 42: 347-55 (1992) BindingDB Entry DOI: 10.7270/Q2NZ864G | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81534 (PACAP(4-38)) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C190H314N58O47S/c1-18-104(12)152(244-146(259)95-198)185(294)240-138(88-109-40-20-19-21-41-109)179(288)248-153(108(16)251)186(295)241-140(94-148(261)262)178(287)243-142(98-250)181(290)237-137(92-113-59-67-117(255)68-60-113)176(285)242-141(97-249)180(289)227-127(51-38-83-213-189(207)208)168(277)235-135(90-111-55-63-115(253)64-56-111)174(283)226-125(49-36-81-211-187(203)204)164(273)221-120(44-24-31-76-193)161(270)229-130(70-72-144(200)257)170(279)230-131(73-85-296-17)159(268)217-107(15)157(266)245-149(101(6)7)182(291)231-123(47-27-34-79-196)163(272)222-122(46-26-33-78-195)165(274)236-136(91-112-57-65-116(254)66-58-112)175(284)233-133(87-100(4)5)172(281)218-105(13)155(264)216-106(14)156(265)246-150(102(8)9)184(293)239-132(86-99(2)3)158(267)215-96-147(260)219-119(43-23-30-75-192)160(269)223-126(50-37-82-212-188(205)206)167(276)234-134(89-110-53-61-114(252)62-54-110)173(282)225-121(45-25-32-77-194)162(271)228-129(69-71-143(199)256)169(278)224-128(52-39-84-214-190(209)210)171(280)247-151(103(10)11)183(292)232-124(48-28-35-80-197)166(275)238-139(93-145(201)258)177(286)220-118(154(202)263)42-22-29-74-191/h19-21,40-41,53-68,99-108,118-142,149-153,249-255H,18,22-39,42-52,69-98,191-198H2,1-17H3,(H2,199,256)(H2,200,257)(H2,201,258)(H2,202,263)(H,215,267)(H,216,264)(H,217,268)(H,218,281)(H,219,260)(H,220,286)(H,221,273)(H,222,272)(H,223,269)(H,224,278)(H,225,282)(H,226,283)(H,227,289)(H,228,271)(H,229,270)(H,230,279)(H,231,291)(H,232,292)(H,233,284)(H,234,276)(H,235,277)(H,236,274)(H,237,290)(H,238,275)(H,239,293)(H,240,294)(H,241,295)(H,242,285)(H,243,287)(H,244,259)(H,245,266)(H,246,265)(H,247,280)(H,248,288)(H,261,262)(H4,203,204,211)(H4,205,206,212)(H4,207,208,213)(H4,209,210,214)/t104?,105-,106-,107-,108+,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,149-,150-,151-,152-,153-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit´ Libre de Bruxelles Curated by PDSP Ki Database | Mol Pharmacol 42: 347-55 (1992) BindingDB Entry DOI: 10.7270/Q2NZ864G | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81529 (PACAP(5-27) | PACAP(6-27)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r| Show InChI InChI=1S/C121H193N33O31S/c1-62(2)53-85(98(127)164)144-118(184)96(65(7)8)153-100(166)67(10)134-99(165)66(9)136-110(176)86(54-63(3)4)145-112(178)88(57-72-34-40-75(159)41-35-72)147-107(173)79(28-18-21-48-123)138-105(171)80(29-19-22-49-124)143-117(183)95(64(5)6)152-101(167)68(11)135-103(169)84(46-52-186-13)142-109(175)83(44-45-93(126)161)141-104(170)78(27-17-20-47-122)137-106(172)81(30-23-50-132-120(128)129)139-111(177)87(56-71-32-38-74(158)39-33-71)146-108(174)82(31-24-51-133-121(130)131)140-115(181)91(60-155)150-113(179)89(58-73-36-42-76(160)43-37-73)148-116(182)92(61-156)151-114(180)90(59-94(162)163)149-119(185)97(69(12)157)154-102(168)77(125)55-70-25-15-14-16-26-70/h14-16,25-26,32-43,62-69,77-92,95-97,155-160H,17-24,27-31,44-61,122-125H2,1-13H3,(H2,126,161)(H2,127,164)(H,134,165)(H,135,169)(H,136,176)(H,137,172)(H,138,171)(H,139,177)(H,140,181)(H,141,170)(H,142,175)(H,143,183)(H,144,184)(H,145,178)(H,146,174)(H,147,173)(H,148,182)(H,149,185)(H,150,179)(H,151,180)(H,152,167)(H,153,166)(H,154,168)(H,162,163)(H4,128,129,132)(H4,130,131,133)/t66-,67-,68-,69+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,95-,96-,97-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit´ Libre de Bruxelles Curated by PDSP Ki Database | Mol Pharmacol 42: 347-55 (1992) BindingDB Entry DOI: 10.7270/Q2NZ864G | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM82442 (PACAP(6-35)) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](-[#7])=O |r| Show InChI InChI=1S/C166H270N50O41S/c1-86(2)75-117(139(234)188-83-128(226)192-105(35-19-24-65-167)141(236)195-111(41-30-71-185-164(178)179)147(242)205-119(78-96-44-52-100(220)53-45-96)153(248)197-107(37-21-26-67-169)143(238)200-114(60-62-126(173)224)149(244)196-113(43-32-73-187-166(182)183)151(246)213-130(88(5)6)134(175)229)209-161(256)132(90(9)10)215-136(231)92(12)189-135(230)91(11)191-152(247)118(76-87(3)4)204-155(250)121(80-98-48-56-102(222)57-49-98)207-146(241)108(38-22-27-68-170)194-144(239)109(39-23-28-69-171)203-160(255)131(89(7)8)214-137(232)93(13)190-140(235)116(64-74-258-15)202-150(245)115(61-63-127(174)225)201-142(237)106(36-20-25-66-168)193-145(240)110(40-29-70-184-163(176)177)198-154(249)120(79-97-46-54-101(221)55-47-97)206-148(243)112(42-31-72-186-165(180)181)199-158(253)124(84-217)211-156(251)122(81-99-50-58-103(223)59-51-99)208-159(254)125(85-218)212-157(252)123(82-129(227)228)210-162(257)133(94(14)219)216-138(233)104(172)77-95-33-17-16-18-34-95/h16-18,33-34,44-59,86-94,104-125,130-133,217-223H,19-32,35-43,60-85,167-172H2,1-15H3,(H2,173,224)(H2,174,225)(H2,175,229)(H,188,234)(H,189,230)(H,190,235)(H,191,247)(H,192,226)(H,193,240)(H,194,239)(H,195,236)(H,196,244)(H,197,248)(H,198,249)(H,199,253)(H,200,238)(H,201,237)(H,202,245)(H,203,255)(H,204,250)(H,205,242)(H,206,243)(H,207,241)(H,208,254)(H,209,256)(H,210,257)(H,211,251)(H,212,252)(H,213,246)(H,214,232)(H,215,231)(H,216,233)(H,227,228)(H4,176,177,184)(H4,178,179,185)(H4,180,181,186)(H4,182,183,187)/t91-,92-,93-,94+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,130-,131-,132-,133-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81763 (PACAP(3-38)) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C194H319N59O50S/c1-18-105(12)155(249-149(265)97-219-161(274)119(202)93-150(266)267)189(302)245-140(88-110-40-20-19-21-41-110)183(296)253-156(109(16)256)190(303)246-142(95-151(268)269)182(295)248-144(99-255)185(298)242-139(92-114-59-67-118(260)68-60-114)180(293)247-143(98-254)184(297)232-129(51-38-83-217-193(211)212)172(285)240-137(90-112-55-63-116(258)64-56-112)178(291)231-127(49-36-81-215-191(207)208)168(281)226-122(44-24-31-76-197)165(278)234-132(70-72-146(204)262)174(287)235-133(73-85-304-17)163(276)222-108(15)160(273)250-152(102(6)7)186(299)236-125(47-27-34-79-200)167(280)227-124(46-26-33-78-199)169(282)241-138(91-113-57-65-117(259)66-58-113)179(292)238-135(87-101(4)5)176(289)223-106(13)158(271)221-107(14)159(272)251-153(103(8)9)188(301)244-134(86-100(2)3)162(275)220-96-148(264)224-121(43-23-30-75-196)164(277)228-128(50-37-82-216-192(209)210)171(284)239-136(89-111-53-61-115(257)62-54-111)177(290)230-123(45-25-32-77-198)166(279)233-131(69-71-145(203)261)173(286)229-130(52-39-84-218-194(213)214)175(288)252-154(104(10)11)187(300)237-126(48-28-35-80-201)170(283)243-141(94-147(205)263)181(294)225-120(157(206)270)42-22-29-74-195/h19-21,40-41,53-68,100-109,119-144,152-156,254-260H,18,22-39,42-52,69-99,195-202H2,1-17H3,(H2,203,261)(H2,204,262)(H2,205,263)(H2,206,270)(H,219,274)(H,220,275)(H,221,271)(H,222,276)(H,223,289)(H,224,264)(H,225,294)(H,226,281)(H,227,280)(H,228,277)(H,229,286)(H,230,290)(H,231,291)(H,232,297)(H,233,279)(H,234,278)(H,235,287)(H,236,299)(H,237,300)(H,238,292)(H,239,284)(H,240,285)(H,241,282)(H,242,298)(H,243,283)(H,244,301)(H,245,302)(H,246,303)(H,247,293)(H,248,295)(H,249,265)(H,250,273)(H,251,272)(H,252,288)(H,253,296)(H,266,267)(H,268,269)(H4,207,208,215)(H4,209,210,216)(H4,211,212,217)(H4,213,214,218)/t105?,106-,107-,108-,109+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,152-,153-,154-,155-,156-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles Curated by PDSP Ki Database | Eur J Pharmacol 288: 259-67 (1995) Article DOI: 10.1016/0922-4106(95)90037-3 BindingDB Entry DOI: 10.7270/Q2VM49S4 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81820 (CAS_196042 | GDP[S] | NSC_196042) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(=S)OP(O)(O)=O)C(O)C1O Show InChI InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-27(22,28)25-26(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,28)(H2,19,20,21)(H3,11,13,14,18) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georg-August-University Curated by PDSP Ki Database | Eur J Biochem 202: 951-8 (1991) Article DOI: 10.1111/j.1432-1033.1991.tb16455.x BindingDB Entry DOI: 10.7270/Q2PR7TG8 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pituitary adenylate cyclase-activating polypeptide (RAT) | BDBM81526 ([D-Phe2]PACAP-27 | [DPhe2]PACAP(1-27)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:53.55,68.70,86.89,103.106,126.130,144.148,157.161,173.177,194.199,207.213,219.224,54.58,4.4,12.16,20.28,31.32,wD:42.43,60.62,74.76,92.95,115.119,152.157,182.186,202.208,212.217,135.139,164.168,(-14.46,-50.6,;-14.44,-52.33,;-15.67,-53.24,;-17,-52.47,;-15.67,-54.78,;-17,-55.55,;-18.34,-54.78,;-18.34,-53.24,;-19.43,-55.87,;-20.76,-55.1,;-22.14,-55.94,;-22.14,-57.48,;-23.47,-55.17,;-23.47,-53.63,;-24.56,-52.54,;-23.87,-51.12,;-26.35,-52.55,;-24.56,-56.25,;-25.89,-55.48,;-25.96,-54.17,;-27.23,-56.25,;-27.23,-57.79,;-25.89,-58.56,;-25.89,-60.1,;-24.56,-60.87,;-23.23,-60.1,;-23.23,-58.56,;-24.56,-57.79,;-28.56,-55.48,;-29.65,-56.57,;-29.65,-58.11,;-30.98,-55.8,;-32.07,-56.89,;-30.98,-54.26,;-32.32,-53.49,;-31.84,-52.03,;-33.09,-51.12,;-34.33,-52.03,;-33.86,-53.49,;-14.34,-55.55,;-14.41,-57.12,;-13,-54.78,;-11.67,-55.55,;-11.67,-57.09,;-10.34,-57.86,;-9,-57.09,;-7.66,-57.86,;-7.66,-59.41,;-9,-60.18,;-10.34,-59.41,;-10.34,-54.78,;-10.34,-53.24,;-9,-55.55,;-7.67,-54.78,;-7.67,-53.24,;-9,-52.47,;-6.33,-52.47,;-6.33,-55.55,;-6.33,-57.09,;-5,-54.78,;-3.67,-55.55,;-3.67,-57.09,;-2.33,-57.86,;-1,-57.09,;-2.33,-59.4,;-2.33,-54.78,;-2.33,-53.24,;-1,-55.55,;.33,-54.78,;.33,-53.24,;1.67,-52.47,;1.67,-55.55,;1.67,-57.09,;3,-54.78,;4.34,-55.55,;4.34,-57.09,;5.67,-57.86,;7.01,-57.09,;8.35,-57.86,;8.35,-59.41,;9.68,-60.18,;7.01,-60.18,;5.67,-59.41,;5.67,-54.78,;5.67,-53.24,;7,-55.55,;8.34,-54.78,;8.34,-53.24,;9.67,-52.47,;9.67,-55.55,;9.67,-57.09,;11,-54.78,;12.34,-55.55,;12.34,-57.09,;13.67,-57.86,;13.67,-59.4,;15,-60.17,;15,-61.71,;13.67,-62.48,;16.34,-62.48,;13.67,-54.78,;13.67,-53.24,;15,-55.55,;16.34,-54.78,;16.34,-53.24,;17.67,-52.47,;19.01,-53.25,;20.35,-52.47,;20.35,-50.93,;21.68,-50.16,;19.01,-50.16,;17.67,-50.93,;17.67,-55.55,;17.67,-57.09,;19.01,-54.78,;20.34,-55.55,;20.34,-57.09,;21.67,-57.86,;21.67,-59.4,;23.01,-60.17,;23.01,-61.71,;21.67,-62.48,;24.34,-62.48,;21.67,-54.78,;21.67,-53.24,;23.01,-55.55,;24.34,-54.78,;24.34,-53.24,;25.67,-52.47,;25.67,-50.93,;27.01,-50.16,;27.01,-48.62,;25.67,-55.55,;25.67,-57.09,;27.01,-54.78,;28.34,-55.55,;28.34,-57.09,;29.67,-57.86,;29.67,-59.4,;28.34,-60.17,;31.01,-60.17,;29.67,-54.78,;29.67,-53.24,;31.01,-55.55,;32.34,-54.78,;32.34,-53.24,;33.68,-52.47,;33.68,-50.93,;35.01,-50.16,;33.68,-55.55,;33.68,-57.09,;35.01,-54.78,;36.34,-55.55,;36.34,-57.09,;37.68,-54.78,;37.68,-53.24,;39.01,-55.55,;40.34,-54.78,;40.34,-53.24,;41.68,-52.47,;39.01,-52.47,;41.68,-55.55,;41.68,-57.09,;43.01,-54.78,;44.34,-55.55,;44.34,-57.09,;45.68,-57.86,;45.68,-59.4,;47.01,-60.17,;47.01,-61.71,;45.68,-54.78,;45.68,-53.24,;47.01,-55.55,;48.35,-54.78,;48.35,-53.24,;49.68,-52.47,;49.68,-50.93,;51.01,-50.16,;51.01,-48.62,;49.68,-55.55,;49.68,-57.09,;51.01,-54.78,;52.35,-55.55,;52.35,-57.09,;53.68,-57.86,;55.02,-57.09,;56.36,-57.86,;56.36,-59.41,;57.69,-60.18,;55.02,-60.18,;53.68,-59.41,;53.68,-54.78,;53.68,-53.24,;55.01,-55.55,;56.35,-54.78,;56.35,-53.24,;57.68,-52.47,;57.68,-50.93,;59.01,-53.24,;57.68,-55.55,;57.68,-57.09,;59.01,-54.78,;60.35,-55.55,;60.35,-57.09,;61.68,-54.78,;61.68,-53.24,;63.02,-55.55,;64.35,-54.78,;64.35,-53.24,;65.68,-55.55,;65.68,-57.09,;67.02,-54.78,;68.35,-55.55,;68.35,-57.09,;69.68,-57.86,;67.02,-57.86,;69.68,-54.78,;69.68,-53.24,;71.02,-55.55,;72.35,-54.78,;72.35,-53.24,;73.68,-52.47,;73.68,-50.93,;75.02,-53.24,;73.68,-55.55,;75.02,-54.78,;73.68,-57.09,)| Show InChI InChI=1S/C148H228N40O38S/c1-16-80(10)119(185-114(196)72-162-126(206)109(69-115(197)198)180-136(216)104(63-85-31-19-17-20-32-85)175-125(205)94(152)68-90-71-159-75-163-90)145(225)181-108(64-86-33-21-18-22-34-86)140(220)188-120(84(14)191)146(226)182-110(70-116(199)200)139(219)184-112(74-190)142(222)179-107(67-89-44-50-93(194)51-45-89)138(218)183-111(73-189)141(221)170-99(39-30-59-161-148(157)158)132(212)177-105(65-87-40-46-91(192)47-41-87)135(215)169-98(38-29-58-160-147(155)156)130(210)167-95(35-23-26-55-149)128(208)171-100(52-53-113(153)195)133(213)172-101(54-60-227-15)127(207)165-83(13)124(204)186-117(78(6)7)143(223)173-97(37-25-28-57-151)129(209)168-96(36-24-27-56-150)131(211)178-106(66-88-42-48-92(193)49-43-88)137(217)176-103(62-77(4)5)134(214)166-81(11)122(202)164-82(12)123(203)187-118(79(8)9)144(224)174-102(121(154)201)61-76(2)3/h17-22,31-34,40-51,71,75-84,94-112,117-120,189-194H,16,23-30,35-39,52-70,72-74,149-152H2,1-15H3,(H2,153,195)(H2,154,201)(H,159,163)(H,162,206)(H,164,202)(H,165,207)(H,166,214)(H,167,210)(H,168,209)(H,169,215)(H,170,221)(H,171,208)(H,172,213)(H,173,223)(H,174,224)(H,175,205)(H,176,217)(H,177,212)(H,178,211)(H,179,222)(H,180,216)(H,181,225)(H,182,226)(H,183,218)(H,184,219)(H,185,196)(H,186,204)(H,187,203)(H,188,220)(H,197,198)(H,199,200)(H4,155,156,160)(H4,157,158,161)/t80?,81-,82-,83-,84+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-/m0/s1 | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit´ Libre de Bruxelles Curated by PDSP Ki Database | Mol Pharmacol 42: 347-55 (1992) BindingDB Entry DOI: 10.7270/Q2NZ864G | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
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