Found 11 hits of Enzyme Inhibition Constant 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) | 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) | 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) | 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) | 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) | 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) | 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) | 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) | BDBM81532
(PACAP(3-27))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](-[#7])=O |r| Show InChI InChI=1S/C133H212N36O36S/c1-16-71(10)106(166-101(177)64-146-112(186)83(137)62-102(178)179)130(204)162-96(58-76-28-18-17-19-29-76)125(199)169-107(75(14)172)131(205)163-97(63-103(180)181)124(198)165-99(66-171)127(201)161-95(61-79-39-45-82(175)46-40-79)123(197)164-98(65-170)126(200)153-88(34-27-54-145-133(142)143)118(192)159-93(59-77-35-41-80(173)42-36-77)121(195)152-87(33-26-53-144-132(140)141)116(190)150-84(30-20-23-50-134)114(188)154-89(47-48-100(138)176)119(193)155-90(49-55-206-15)113(187)148-74(13)111(185)167-104(69(6)7)128(202)156-86(32-22-25-52-136)115(189)151-85(31-21-24-51-135)117(191)160-94(60-78-37-43-81(174)44-38-78)122(196)158-92(57-68(4)5)120(194)149-72(11)109(183)147-73(12)110(184)168-105(70(8)9)129(203)157-91(108(139)182)56-67(2)3/h17-19,28-29,35-46,67-75,83-99,104-107,170-175H,16,20-27,30-34,47-66,134-137H2,1-15H3,(H2,138,176)(H2,139,182)(H,146,186)(H,147,183)(H,148,187)(H,149,194)(H,150,190)(H,151,189)(H,152,195)(H,153,200)(H,154,188)(H,155,193)(H,156,202)(H,157,203)(H,158,196)(H,159,192)(H,160,191)(H,161,201)(H,162,204)(H,163,205)(H,164,197)(H,165,198)(H,166,177)(H,167,185)(H,168,184)(H,169,199)(H,178,179)(H,180,181)(H4,140,141,144)(H4,142,143,145)/t71?,72-,73-,74-,75+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,104-,105-,106-,107-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | 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) | BDBM81532
(PACAP(3-27))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](-[#7])=O |r| Show InChI InChI=1S/C133H212N36O36S/c1-16-71(10)106(166-101(177)64-146-112(186)83(137)62-102(178)179)130(204)162-96(58-76-28-18-17-19-29-76)125(199)169-107(75(14)172)131(205)163-97(63-103(180)181)124(198)165-99(66-171)127(201)161-95(61-79-39-45-82(175)46-40-79)123(197)164-98(65-170)126(200)153-88(34-27-54-145-133(142)143)118(192)159-93(59-77-35-41-80(173)42-36-77)121(195)152-87(33-26-53-144-132(140)141)116(190)150-84(30-20-23-50-134)114(188)154-89(47-48-100(138)176)119(193)155-90(49-55-206-15)113(187)148-74(13)111(185)167-104(69(6)7)128(202)156-86(32-22-25-52-136)115(189)151-85(31-21-24-51-135)117(191)160-94(60-78-37-43-81(174)44-38-78)122(196)158-92(57-68(4)5)120(194)149-72(11)109(183)147-73(12)110(184)168-105(70(8)9)129(203)157-91(108(139)182)56-67(2)3/h17-19,28-29,35-46,67-75,83-99,104-107,170-175H,16,20-27,30-34,47-66,134-137H2,1-15H3,(H2,138,176)(H2,139,182)(H,146,186)(H,147,183)(H,148,187)(H,149,194)(H,150,190)(H,151,189)(H,152,195)(H,153,200)(H,154,188)(H,155,193)(H,156,202)(H,157,203)(H,158,196)(H,159,192)(H,160,191)(H,161,201)(H,162,204)(H,163,205)(H,164,197)(H,165,198)(H,166,177)(H,167,185)(H,168,184)(H,169,199)(H,178,179)(H,180,181)(H4,140,141,144)(H4,142,143,145)/t71?,72-,73-,74-,75+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,104-,105-,106-,107-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | 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 | |
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