Found 124 hits with Last Name = 'vila' and Initial = 'j' 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 | |
VIP peptides
(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
| 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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
VIP peptides
(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
| 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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
VIP peptides
(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
| 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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
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) | 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 | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM15613
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
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 | |
VIP peptides
(RAT) | BDBM82396
(CAS_17034-35-4 | NSC_3082178 | PHI | PHI-GLY (1-27...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[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(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)NCC(N)=O |wU:51.57,22.27,80.81,2.2,150.154,160.170,wD:39.48,31.35,60.66,16.18,69.70,8.12,74.77,4.4,206.210,84.90,97.102,105.110,113.121,124.127,130.140,142.148,156.158,203.208,171.174,179.186,187.190,192.195,(-28.03,-4.3,;-26.74,-5.08,;-26.7,-6.62,;-28.06,-7.37,;-25.38,-7.37,;-24,-6.62,;-24,-5.1,;-25.33,-4.25,;-22.66,-4.32,;-22.68,-2.69,;-24.04,-1.93,;-24.04,-.37,;-25.4,-2.76,;-21.27,-5.1,;-19.96,-4.3,;-18.64,-5.03,;-19.96,-2.76,;-21.27,-1.95,;-21.27,-.5,;-18.64,-2.06,;-18.57,-.55,;-19.89,.19,;-17.24,.19,;-15.9,-.61,;-14.6,.12,;-13.33,-.7,;-12.13,.1,;-13.31,-2.22,;-17.26,1.75,;-15.96,2.51,;-14.6,1.71,;-15.94,4.09,;-17.28,4.83,;-18.6,4.09,;-19.94,4.85,;-18.64,2.55,;-14.56,4.81,;-14.6,6.33,;-16.03,7.04,;-13.2,7.11,;-13.17,8.73,;-14.49,9.54,;-15.85,8.85,;-17.17,9.6,;-17.19,11.14,;-18.48,11.99,;-15.79,11.9,;-14.49,11.1,;-11.93,6.33,;-10.61,7.06,;-10.63,8.62,;-9.23,6.33,;-9.18,4.76,;-7.84,4.07,;-7.78,2.53,;-6.44,1.84,;-6.3,.28,;-7.89,7.22,;-6.55,6.53,;-6.55,4.99,;-5.17,7.31,;-5.14,8.87,;-6.5,9.65,;-6.46,11.19,;-7.82,11.99,;-7.8,13.55,;-3.83,6.48,;-2.49,7.2,;-2.49,8.69,;-1.19,6.39,;.12,7.15,;-1.19,4.88,;.1,4.09,;.1,2.55,;1.46,4.79,;1.55,6.35,;2.84,6.99,;2.71,3.96,;4.07,4.67,;4.07,6.17,;5.43,3.87,;6.77,4.72,;8.07,3.96,;8.04,2.47,;9.4,4.72,;9.38,6.26,;8.02,7.02,;8.04,8.53,;9.38,9.34,;6.7,9.29,;10.74,4.01,;12.04,4.76,;13.46,4.07,;12.04,6.26,;13.35,7.08,;13.31,8.6,;11.97,9.25,;14.62,9.45,;14.58,10.99,;13.22,11.77,;13.24,13.31,;11.88,10.92,;16.01,8.69,;17.3,9.45,;17.3,10.97,;18.66,8.71,;20.02,9.49,;20.02,10.99,;21.36,11.79,;18.69,11.79,;18.64,7.11,;19.93,6.33,;21.3,7.06,;19.98,4.76,;21.36,4.03,;22.72,4.76,;24.04,3.96,;25.4,4.72,;26.69,3.94,;28.06,4.72,;26.69,2.44,;18.71,3.94,;18.75,2.4,;17.46,1.55,;20.09,1.71,;21.45,2.47,;22.68,1.62,;20.14,.19,;18.8,-.55,;17.41,.26,;18.75,-2.11,;20.14,-2.89,;21.5,-2.18,;22.81,-2.91,;24.17,-2.2,;24.17,-.64,;25.51,.06,;22.81,.12,;21.52,-.64,;17.41,-2.8,;17.37,-4.32,;18.64,-5.14,;16.05,-5.03,;16.01,-6.57,;17.35,-7.35,;18.66,-6.62,;17.35,-8.94,;14.71,-4.27,;13.49,-5.12,;13.49,-6.68,;12.1,-4.43,;12.1,-2.84,;10.97,-2.06,;10.88,-5.32,;9.52,-4.65,;9.54,-3.05,;8.15,-5.41,;6.97,-4.63,;5.63,-5.37,;5.63,-6.88,;4.27,-4.58,;4.27,-3.09,;2.96,-2.31,;1.59,-3.09,;.17,-2.24,;.17,-.7,;1.53,.06,;2.96,-.77,;3.11,-5.37,;3.16,-6.88,;4.67,-7.75,;1.8,-7.62,;.5,-6.84,;-.84,-7.55,;-.84,-9.09,;-2.2,-6.75,;-3.51,-7.53,;-4.83,-6.77,;-4.81,-5.23,;-6.17,-7.55,;-6.12,-9.09,;-4.74,-9.83,;-3.45,-9.02,;-4.74,-11.43,;-7.49,-6.82,;-8.8,-7.57,;-8.8,-9.14,;-10.16,-6.82,;-11.43,-7.62,;-10.21,-5.3,;-11.55,-4.58,;-11.55,-3.07,;-12.86,-5.37,;-14.2,-4.56,;-12.86,-6.88,;-14.18,-7.64,;-15.52,-6.99,;-16.59,-8.07,;-15.9,-9.4,;-14.38,-9.2,;1.77,-9.14,;.43,-9.85,;3.09,-9.94,;8.15,-6.95,;6.93,-7.78,;9.65,-7.73,;5.37,2.35,;4.05,1.55,;6.7,1.57,;6.7,.03,;-25.38,-8.94,;-26.7,-9.69,;-24.08,-9.74,;-24.08,-11.3,;-22.79,-12.08,;-21.5,-11.34,;-22.79,-13.55,)| Show InChI InChI=1S/C138H219N37O42/c1-18-72(13)110(134(214)148-59-103(143)184)173-128(208)92(51-70(9)10)163-132(212)100(64-178)168-121(201)88(42-44-106(187)188)158-123(203)90(49-68(5)6)162-125(205)93(53-78-33-37-81(181)38-34-78)164-119(199)85(31-24-26-46-140)156-118(198)84(30-23-25-45-139)155-113(193)75(16)153-130(210)98(62-176)170-136(216)111(73(14)19-2)174-122(202)87(41-43-102(142)183)154-104(185)60-149-116(196)89(48-67(3)4)160-124(204)91(50-69(7)8)161-120(200)86(32-27-47-147-138(144)145)157-131(211)99(63-177)169-126(206)94(54-79-35-39-82(182)40-36-79)165-127(207)97(57-108(191)192)166-133(213)101(65-179)171-137(217)112(76(17)180)175-129(209)95(52-77-28-21-20-22-29-77)167-135(215)109(71(11)12)172-105(186)61-150-117(197)96(56-107(189)190)159-114(194)74(15)152-115(195)83(141)55-80-58-146-66-151-80/h20-22,28-29,33-40,58,66-76,83-101,109-112,176-182H,18-19,23-27,30-32,41-57,59-65,139-141H2,1-17H3,(H2,142,183)(H2,143,184)(H,146,151)(H,148,214)(H,149,196)(H,150,197)(H,152,195)(H,153,210)(H,154,185)(H,155,193)(H,156,198)(H,157,211)(H,158,203)(H,159,194)(H,160,204)(H,161,200)(H,162,205)(H,163,212)(H,164,199)(H,165,207)(H,166,213)(H,167,215)(H,168,201)(H,169,206)(H,170,216)(H,171,217)(H,172,186)(H,173,208)(H,174,202)(H,175,209)(H,187,188)(H,189,190)(H,191,192)(H4,144,145,147)/t72-,73-,74-,75-,76+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,109-,110-,111-,112-/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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
VIP peptides
(RAT) | BDBM82401
(Acetyl-His1-VIP)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(Cc1cnc[nH]1)NC(C)=O)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,;8.52,-14.72,;7.19,-13.95,;7.03,-12.42,;5.52,-12.1,;4.75,-13.43,;5.78,-14.58,;7.19,-17.03,;7.19,-18.57,;6.1,-19.66,;8.52,-19.34,;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/C149H239N43O44S/c1-19-76(12)117(144(232)182-97(57-73(6)7)132(220)185-106(147(235)236)64-112(156)203)190-141(229)108(69-194)187-136(224)103(63-111(155)202)179-131(219)96(56-72(4)5)176-133(221)98(59-83-38-42-86(198)43-39-83)177-126(214)89(34-24-27-50-151)169-124(212)90(35-25-28-51-152)173-142(230)115(74(8)9)188-120(208)77(13)165-122(210)94(48-54-237-18)172-128(216)93(46-47-109(153)200)171-123(211)88(33-23-26-49-150)168-125(213)91(36-29-52-162-148(157)158)170-130(218)95(55-71(2)3)175-127(215)92(37-30-53-163-149(159)160)174-145(233)118(79(15)195)191-138(226)99(60-84-40-44-87(199)45-41-84)178-135(223)102(62-110(154)201)180-137(225)105(66-114(206)207)184-146(234)119(80(16)196)192-139(227)100(58-82-31-21-20-22-32-82)183-143(231)116(75(10)11)189-121(209)78(14)166-129(217)104(65-113(204)205)181-140(228)107(68-193)186-134(222)101(167-81(17)197)61-85-67-161-70-164-85/h20-22,31-32,38-45,67,70-80,88-108,115-119,193-196,198-199H,19,23-30,33-37,46-66,68-69,150-152H2,1-18H3,(H2,153,200)(H2,154,201)(H2,155,202)(H2,156,203)(H,161,164)(H,165,210)(H,166,217)(H,167,197)(H,168,213)(H,169,212)(H,170,218)(H,171,211)(H,172,216)(H,173,230)(H,174,233)(H,175,215)(H,176,221)(H,177,214)(H,178,223)(H,179,219)(H,180,225)(H,181,228)(H,182,232)(H,183,231)(H,184,234)(H,185,220)(H,186,222)(H,187,224)(H,188,208)(H,189,209)(H,190,229)(H,191,226)(H,192,227)(H,204,205)(H,206,207)(H,235,236)(H4,157,158,162)(H4,159,160,163) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | 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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
VIP peptides
(RAT) | BDBM82395
([Phe1]VIP)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#8])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#8])-[#7]-[#6](=O)-[#6](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O Show InChI InChI=1S/C150H239N41O43S/c1-18-78(12)118(145(230)181-99(61-75(6)7)134(219)184-107(148(233)234)68-113(158)201)189-142(227)109(72-193)186-137(222)104(67-112(157)200)178-133(218)98(60-74(4)5)175-135(220)100(64-85-42-46-87(196)47-43-85)176-128(213)91(38-26-29-54-152)168-126(211)92(39-27-30-55-153)172-143(228)116(76(8)9)187-121(206)79(13)165-124(209)96(52-58-235-17)171-130(215)95(50-51-110(155)198)170-125(210)90(37-25-28-53-151)167-127(212)93(40-31-56-163-149(159)160)169-132(217)97(59-73(2)3)174-129(214)94(41-32-57-164-150(161)162)173-146(231)119(81(15)194)190-139(224)101(65-86-44-48-88(197)49-45-86)177-136(221)103(66-111(156)199)179-138(223)106(70-115(204)205)183-147(232)120(82(16)195)191-140(225)102(63-84-35-23-20-24-36-84)182-144(229)117(77(10)11)188-122(207)80(14)166-131(216)105(69-114(202)203)180-141(226)108(71-192)185-123(208)89(154)62-83-33-21-19-22-34-83/h19-24,33-36,42-49,73-82,89-109,116-120,192-197H,18,25-32,37-41,50-72,151-154H2,1-17H3,(H2,155,198)(H2,156,199)(H2,157,200)(H2,158,201)(H,165,209)(H,166,216)(H,167,212)(H,168,211)(H,169,217)(H,170,210)(H,171,215)(H,172,228)(H,173,231)(H,174,214)(H,175,220)(H,176,213)(H,177,221)(H,178,218)(H,179,223)(H,180,226)(H,181,230)(H,182,229)(H,183,232)(H,184,219)(H,185,208)(H,186,222)(H,187,206)(H,188,207)(H,189,227)(H,190,224)(H,191,225)(H,202,203)(H,204,205)(H,233,234)(H4,159,160,163)(H4,161,162,164) | 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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
VIP peptides
(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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
VIP peptides
(RAT) | BDBM82394
(CAS_89468-62-2 | Helodermin)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=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](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)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](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C176H285N47O49/c1-23-93(15)138(217-146(243)98(20)194-159(256)124(78-137(237)238)210-167(264)126(82-225)214-147(244)107(180)77-104-79-187-86-190-104)169(266)212-123(74-101-38-26-25-27-39-101)164(261)220-140(99(21)229)171(268)202-114(57-60-135(183)235)153(250)200-113(56-59-134(182)234)154(251)209-122(76-103-49-53-106(232)54-50-103)163(260)215-127(83-226)166(263)198-110(42-30-33-63-179)150(247)205-120(73-92(13)14)161(258)206-117(70-89(7)8)157(254)191-95(17)143(240)196-108(40-28-31-61-177)149(246)204-116(69-88(5)6)156(253)192-96(18)144(241)203-119(72-91(11)12)160(257)201-112(55-58-133(181)233)152(249)197-109(41-29-32-62-178)151(248)208-121(75-102-47-51-105(231)52-48-102)162(259)207-118(71-90(9)10)158(255)193-97(19)145(242)213-128(84-227)168(265)218-139(94(16)24-2)170(267)211-115(68-87(3)4)148(245)189-80-136(236)195-125(81-224)165(262)199-111(43-34-64-188-176(185)186)155(252)219-141(100(22)230)172(269)216-129(85-228)173(270)222-66-36-45-131(222)175(272)223-67-37-46-132(223)174(271)221-65-35-44-130(221)142(184)239/h25-27,38-39,47-54,79,86-100,107-132,138-141,224-232H,23-24,28-37,40-46,55-78,80-85,177-180H2,1-22H3,(H2,181,233)(H2,182,234)(H2,183,235)(H2,184,239)(H,187,190)(H,189,245)(H,191,254)(H,192,253)(H,193,255)(H,194,256)(H,195,236)(H,196,240)(H,197,249)(H,198,263)(H,199,262)(H,200,250)(H,201,257)(H,202,268)(H,203,241)(H,204,246)(H,205,247)(H,206,258)(H,207,259)(H,208,248)(H,209,251)(H,210,264)(H,211,267)(H,212,266)(H,213,242)(H,214,244)(H,215,260)(H,216,269)(H,217,243)(H,218,265)(H,219,252)(H,220,261)(H,237,238)(H4,185,186,188)/t93-,94-,95-,96-,97-,98-,99+,100+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,138-,139-,140-,141-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
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 | |
VIP peptides
(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
| 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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
VIP peptides
(RAT) | BDBM82398
(VIP [D-His1])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@@H](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 |wU:195.198,(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)/t75?,76?,77?,78?,79?,86-,87?,88?,89?,90?,91?,92?,93?,94?,95?,96?,97?,98?,99?,100?,101?,102?,103?,104?,105?,106?,113?,114?,115?,116?,117?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | 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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
VIP peptides
(RAT) | BDBM82402
(VIP(2-28))Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#8])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O Show InChI InChI=1S/C141H230N40O42S/c1-18-72(12)110(136(219)172-92(56-69(6)7)126(209)175-100(139(222)223)62-105(149)191)179-133(216)101(66-183)176-129(212)97(61-104(148)190)170-125(208)91(55-68(4)5)167-127(210)93(58-78-37-41-80(186)42-38-78)168-120(203)84(33-23-26-49-143)159-118(201)85(34-24-27-50-144)163-134(217)108(70(8)9)177-113(196)73(13)156-116(199)89(47-53-224-17)162-122(205)88(45-46-102(146)188)161-117(200)83(32-22-25-48-142)158-119(202)86(35-28-51-154-140(150)151)160-124(207)90(54-67(2)3)166-121(204)87(36-29-52-155-141(152)153)164-137(220)111(75(15)184)180-131(214)94(59-79-39-43-81(187)44-40-79)169-128(211)96(60-103(147)189)171-130(213)99(64-107(194)195)174-138(221)112(76(16)185)181-132(215)95(57-77-30-20-19-21-31-77)173-135(218)109(71(10)11)178-114(197)74(14)157-123(206)98(63-106(192)193)165-115(198)82(145)65-182/h19-21,30-31,37-44,67-76,82-101,108-112,182-187H,18,22-29,32-36,45-66,142-145H2,1-17H3,(H2,146,188)(H2,147,189)(H2,148,190)(H2,149,191)(H,156,199)(H,157,206)(H,158,202)(H,159,201)(H,160,207)(H,161,200)(H,162,205)(H,163,217)(H,164,220)(H,165,198)(H,166,204)(H,167,210)(H,168,203)(H,169,211)(H,170,208)(H,171,213)(H,172,219)(H,173,218)(H,174,221)(H,175,209)(H,176,212)(H,177,196)(H,178,197)(H,179,216)(H,180,214)(H,181,215)(H,192,193)(H,194,195)(H,222,223)(H4,150,151,154)(H4,152,153,155) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | 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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM152637
((2E)-1-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phe...)Show InChI InChI=1S/C17H13F3O2/c1-22-15-9-5-13(6-10-15)16(21)11-4-12-2-7-14(8-3-12)17(18,19)20/h2-11H,1H3/b11-4+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
More data for this
Ligand-Target Pair | |
VIP peptides
(RAT) | BDBM82396
(CAS_17034-35-4 | NSC_3082178 | PHI | PHI-GLY (1-27...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[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(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)NCC(N)=O |wU:51.57,22.27,80.81,2.2,150.154,160.170,wD:39.48,31.35,60.66,16.18,69.70,8.12,74.77,4.4,206.210,84.90,97.102,105.110,113.121,124.127,130.140,142.148,156.158,203.208,171.174,179.186,187.190,192.195,(-28.03,-4.3,;-26.74,-5.08,;-26.7,-6.62,;-28.06,-7.37,;-25.38,-7.37,;-24,-6.62,;-24,-5.1,;-25.33,-4.25,;-22.66,-4.32,;-22.68,-2.69,;-24.04,-1.93,;-24.04,-.37,;-25.4,-2.76,;-21.27,-5.1,;-19.96,-4.3,;-18.64,-5.03,;-19.96,-2.76,;-21.27,-1.95,;-21.27,-.5,;-18.64,-2.06,;-18.57,-.55,;-19.89,.19,;-17.24,.19,;-15.9,-.61,;-14.6,.12,;-13.33,-.7,;-12.13,.1,;-13.31,-2.22,;-17.26,1.75,;-15.96,2.51,;-14.6,1.71,;-15.94,4.09,;-17.28,4.83,;-18.6,4.09,;-19.94,4.85,;-18.64,2.55,;-14.56,4.81,;-14.6,6.33,;-16.03,7.04,;-13.2,7.11,;-13.17,8.73,;-14.49,9.54,;-15.85,8.85,;-17.17,9.6,;-17.19,11.14,;-18.48,11.99,;-15.79,11.9,;-14.49,11.1,;-11.93,6.33,;-10.61,7.06,;-10.63,8.62,;-9.23,6.33,;-9.18,4.76,;-7.84,4.07,;-7.78,2.53,;-6.44,1.84,;-6.3,.28,;-7.89,7.22,;-6.55,6.53,;-6.55,4.99,;-5.17,7.31,;-5.14,8.87,;-6.5,9.65,;-6.46,11.19,;-7.82,11.99,;-7.8,13.55,;-3.83,6.48,;-2.49,7.2,;-2.49,8.69,;-1.19,6.39,;.12,7.15,;-1.19,4.88,;.1,4.09,;.1,2.55,;1.46,4.79,;1.55,6.35,;2.84,6.99,;2.71,3.96,;4.07,4.67,;4.07,6.17,;5.43,3.87,;6.77,4.72,;8.07,3.96,;8.04,2.47,;9.4,4.72,;9.38,6.26,;8.02,7.02,;8.04,8.53,;9.38,9.34,;6.7,9.29,;10.74,4.01,;12.04,4.76,;13.46,4.07,;12.04,6.26,;13.35,7.08,;13.31,8.6,;11.97,9.25,;14.62,9.45,;14.58,10.99,;13.22,11.77,;13.24,13.31,;11.88,10.92,;16.01,8.69,;17.3,9.45,;17.3,10.97,;18.66,8.71,;20.02,9.49,;20.02,10.99,;21.36,11.79,;18.69,11.79,;18.64,7.11,;19.93,6.33,;21.3,7.06,;19.98,4.76,;21.36,4.03,;22.72,4.76,;24.04,3.96,;25.4,4.72,;26.69,3.94,;28.06,4.72,;26.69,2.44,;18.71,3.94,;18.75,2.4,;17.46,1.55,;20.09,1.71,;21.45,2.47,;22.68,1.62,;20.14,.19,;18.8,-.55,;17.41,.26,;18.75,-2.11,;20.14,-2.89,;21.5,-2.18,;22.81,-2.91,;24.17,-2.2,;24.17,-.64,;25.51,.06,;22.81,.12,;21.52,-.64,;17.41,-2.8,;17.37,-4.32,;18.64,-5.14,;16.05,-5.03,;16.01,-6.57,;17.35,-7.35,;18.66,-6.62,;17.35,-8.94,;14.71,-4.27,;13.49,-5.12,;13.49,-6.68,;12.1,-4.43,;12.1,-2.84,;10.97,-2.06,;10.88,-5.32,;9.52,-4.65,;9.54,-3.05,;8.15,-5.41,;6.97,-4.63,;5.63,-5.37,;5.63,-6.88,;4.27,-4.58,;4.27,-3.09,;2.96,-2.31,;1.59,-3.09,;.17,-2.24,;.17,-.7,;1.53,.06,;2.96,-.77,;3.11,-5.37,;3.16,-6.88,;4.67,-7.75,;1.8,-7.62,;.5,-6.84,;-.84,-7.55,;-.84,-9.09,;-2.2,-6.75,;-3.51,-7.53,;-4.83,-6.77,;-4.81,-5.23,;-6.17,-7.55,;-6.12,-9.09,;-4.74,-9.83,;-3.45,-9.02,;-4.74,-11.43,;-7.49,-6.82,;-8.8,-7.57,;-8.8,-9.14,;-10.16,-6.82,;-11.43,-7.62,;-10.21,-5.3,;-11.55,-4.58,;-11.55,-3.07,;-12.86,-5.37,;-14.2,-4.56,;-12.86,-6.88,;-14.18,-7.64,;-15.52,-6.99,;-16.59,-8.07,;-15.9,-9.4,;-14.38,-9.2,;1.77,-9.14,;.43,-9.85,;3.09,-9.94,;8.15,-6.95,;6.93,-7.78,;9.65,-7.73,;5.37,2.35,;4.05,1.55,;6.7,1.57,;6.7,.03,;-25.38,-8.94,;-26.7,-9.69,;-24.08,-9.74,;-24.08,-11.3,;-22.79,-12.08,;-21.5,-11.34,;-22.79,-13.55,)| Show InChI InChI=1S/C138H219N37O42/c1-18-72(13)110(134(214)148-59-103(143)184)173-128(208)92(51-70(9)10)163-132(212)100(64-178)168-121(201)88(42-44-106(187)188)158-123(203)90(49-68(5)6)162-125(205)93(53-78-33-37-81(181)38-34-78)164-119(199)85(31-24-26-46-140)156-118(198)84(30-23-25-45-139)155-113(193)75(16)153-130(210)98(62-176)170-136(216)111(73(14)19-2)174-122(202)87(41-43-102(142)183)154-104(185)60-149-116(196)89(48-67(3)4)160-124(204)91(50-69(7)8)161-120(200)86(32-27-47-147-138(144)145)157-131(211)99(63-177)169-126(206)94(54-79-35-39-82(182)40-36-79)165-127(207)97(57-108(191)192)166-133(213)101(65-179)171-137(217)112(76(17)180)175-129(209)95(52-77-28-21-20-22-29-77)167-135(215)109(71(11)12)172-105(186)61-150-117(197)96(56-107(189)190)159-114(194)74(15)152-115(195)83(141)55-80-58-146-66-151-80/h20-22,28-29,33-40,58,66-76,83-101,109-112,176-182H,18-19,23-27,30-32,41-57,59-65,139-141H2,1-17H3,(H2,142,183)(H2,143,184)(H,146,151)(H,148,214)(H,149,196)(H,150,197)(H,152,195)(H,153,210)(H,154,185)(H,155,193)(H,156,198)(H,157,211)(H,158,203)(H,159,194)(H,160,204)(H,161,200)(H,162,205)(H,163,212)(H,164,199)(H,165,207)(H,166,213)(H,167,215)(H,168,201)(H,169,206)(H,170,216)(H,171,217)(H,172,186)(H,173,208)(H,174,202)(H,175,209)(H,187,188)(H,189,190)(H,191,192)(H4,144,145,147)/t72-,73-,74-,75-,76+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,109-,110-,111-,112-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 250 | 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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM152635
((2E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-...)Show InChI InChI=1S/C16H13FO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM152633
((2E)-3-(2-fluorophenyl)-1-(4-methoxyphenyl)prop-2-...)Show InChI InChI=1S/C16H13FO2/c1-19-14-9-6-13(7-10-14)16(18)11-8-12-4-2-3-5-15(12)17/h2-11H,1H3/b11-8+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
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 | |
VIP peptides
(RAT) | BDBM82399
([Phe1]PACAP(1-27) | [Phe1]PACAP-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](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#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/C146H228N38O39S/c1-16-79(10)117(181-112(193)71-159-124(203)98(53-55-113(194)195)167-138(217)108(72-185)178-123(202)92(150)65-84-31-19-17-20-32-84)143(222)176-106(66-85-33-21-18-22-34-85)137(216)184-118(83(14)188)144(223)177-107(70-114(196)197)136(215)180-110(74-187)140(219)175-105(69-88-44-50-91(191)51-45-88)135(214)179-109(73-186)139(218)166-97(39-30-61-158-146(155)156)130(209)173-103(67-86-40-46-89(189)47-41-86)133(212)165-96(38-29-60-157-145(153)154)128(207)163-93(35-23-26-57-147)126(205)168-99(52-54-111(151)192)131(210)169-100(56-62-224-15)125(204)161-82(13)122(201)182-115(77(6)7)141(220)170-95(37-25-28-59-149)127(206)164-94(36-24-27-58-148)129(208)174-104(68-87-42-48-90(190)49-43-87)134(213)172-102(64-76(4)5)132(211)162-80(11)120(199)160-81(12)121(200)183-116(78(8)9)142(221)171-101(119(152)198)63-75(2)3/h17-22,31-34,40-51,75-83,92-110,115-118,185-191H,16,23-30,35-39,52-74,147-150H2,1-15H3,(H2,151,192)(H2,152,198)(H,159,203)(H,160,199)(H,161,204)(H,162,211)(H,163,207)(H,164,206)(H,165,212)(H,166,218)(H,167,217)(H,168,205)(H,169,210)(H,170,220)(H,171,221)(H,172,213)(H,173,209)(H,174,208)(H,175,219)(H,176,222)(H,177,223)(H,178,202)(H,179,214)(H,180,215)(H,181,193)(H,182,201)(H,183,200)(H,184,216)(H,194,195)(H,196,197)(H4,153,154,157)(H4,155,156,158)/t79?,80-,81-,82-,83+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,115-,116-,117-,118-/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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM15579
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM152634
((2E)-3-(3-fluorophenyl)-1-(4-methoxyphenyl)prop-2-...)Show InChI InChI=1S/C16H13FO2/c1-19-15-8-6-13(7-9-15)16(18)10-5-12-3-2-4-14(17)11-12/h2-11H,1H3/b10-5+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM152636
((2E)-1-(4-methoxyphenyl)-3-[2-(trifluoromethyl)phe...)Show InChI InChI=1S/C17H13F3O2/c1-22-14-9-6-13(7-10-14)16(21)11-8-12-4-2-3-5-15(12)17(18,19)20/h2-11H,1H3/b11-8+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
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 | |
VIP peptides
(RAT) | BDBM81761
(PACAP(4-27))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](-[#7])=O |r| Show InChI InChI=1S/C129H207N35O33S/c1-16-70(10)103(161-99(172)63-133)126(196)157-94(58-75-28-18-17-19-29-75)121(191)164-104(74(14)167)127(197)158-95(62-100(173)174)120(190)160-97(65-166)123(193)156-93(61-78-39-45-81(170)46-40-78)119(189)159-96(64-165)122(192)148-86(34-27-54-141-129(138)139)114(184)154-91(59-76-35-41-79(168)42-36-76)117(187)147-85(33-26-53-140-128(136)137)112(182)145-82(30-20-23-50-130)110(180)149-87(47-48-98(134)171)115(185)150-88(49-55-198-15)109(179)143-73(13)108(178)162-101(68(6)7)124(194)151-84(32-22-25-52-132)111(181)146-83(31-21-24-51-131)113(183)155-92(60-77-37-43-80(169)44-38-77)118(188)153-90(57-67(4)5)116(186)144-71(11)106(176)142-72(12)107(177)163-102(69(8)9)125(195)152-89(105(135)175)56-66(2)3/h17-19,28-29,35-46,66-74,82-97,101-104,165-170H,16,20-27,30-34,47-65,130-133H2,1-15H3,(H2,134,171)(H2,135,175)(H,142,176)(H,143,179)(H,144,186)(H,145,182)(H,146,181)(H,147,187)(H,148,192)(H,149,180)(H,150,185)(H,151,194)(H,152,195)(H,153,188)(H,154,184)(H,155,183)(H,156,193)(H,157,196)(H,158,197)(H,159,189)(H,160,190)(H,161,172)(H,162,178)(H,163,177)(H,164,191)(H,173,174)(H4,136,137,140)(H4,138,139,141)/t70?,71-,72-,73-,74+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-,104-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 800 | 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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
VIP peptides
(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
| 800 | 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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
VIP peptides
(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
| 800 | 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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM152636
((2E)-1-(4-methoxyphenyl)-3-[2-(trifluoromethyl)phe...)Show InChI InChI=1S/C17H13F3O2/c1-22-14-9-6-13(7-10-14)16(21)11-8-12-4-2-3-5-15(12)17(18,19)20/h2-11H,1H3/b11-8+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM15613
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM152634
((2E)-3-(3-fluorophenyl)-1-(4-methoxyphenyl)prop-2-...)Show InChI InChI=1S/C16H13FO2/c1-19-15-8-6-13(7-9-15)16(18)10-5-12-3-2-4-14(17)11-12/h2-11H,1H3/b10-5+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
More data for this
Ligand-Target Pair | |
VIP peptides
(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
| 1.50E+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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
VIP peptides
(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
| 2.00E+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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM152633
((2E)-3-(2-fluorophenyl)-1-(4-methoxyphenyl)prop-2-...)Show InChI InChI=1S/C16H13FO2/c1-19-14-9-6-13(7-10-14)16(18)11-8-12-4-2-3-5-15(12)17/h2-11H,1H3/b11-8+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM152635
((2E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-...)Show InChI InChI=1S/C16H13FO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
More data for this
Ligand-Target Pair | |
VIP peptides
(RAT) | BDBM82400
(VIP(3-28))Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#8])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#6](-[#8])=O)-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O Show InChI InChI=1S/C138H225N39O40S/c1-18-71(12)108(133(213)168-91(56-68(6)7)123(203)171-98(136(216)217)63-103(146)186)175-130(210)99(65-178)172-126(206)96(62-102(145)185)166-122(202)90(55-67(4)5)163-124(204)92(58-77-37-41-79(181)42-38-77)164-118(198)83(33-23-26-49-140)156-116(196)84(34-24-27-50-141)160-131(211)106(69(8)9)173-112(192)73(14)154-114(194)88(47-53-218-17)159-120(200)87(45-46-100(143)183)158-115(195)82(32-22-25-48-139)155-117(197)85(35-28-51-151-137(147)148)157-121(201)89(54-66(2)3)162-119(199)86(36-29-52-152-138(149)150)161-134(214)109(74(15)179)176-128(208)93(59-78-39-43-80(182)44-40-78)165-125(205)95(61-101(144)184)167-127(207)97(64-105(189)190)170-135(215)110(75(16)180)177-129(209)94(57-76-30-20-19-21-31-76)169-132(212)107(70(10)11)174-111(191)72(13)153-113(193)81(142)60-104(187)188/h19-21,30-31,37-44,66-75,81-99,106-110,178-182H,18,22-29,32-36,45-65,139-142H2,1-17H3,(H2,143,183)(H2,144,184)(H2,145,185)(H2,146,186)(H,153,193)(H,154,194)(H,155,197)(H,156,196)(H,157,201)(H,158,195)(H,159,200)(H,160,211)(H,161,214)(H,162,199)(H,163,204)(H,164,198)(H,165,205)(H,166,202)(H,167,207)(H,168,213)(H,169,212)(H,170,215)(H,171,203)(H,172,206)(H,173,192)(H,174,191)(H,175,210)(H,176,208)(H,177,209)(H,187,188)(H,189,190)(H,216,217)(H4,147,148,151)(H4,149,150,152) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+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
| |
Regul Pept 54: 397-407 (1994)
Article DOI: 10.1016/0167-0115(94)90537-1
BindingDB Entry DOI: 10.7270/Q20C4T9W |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase VIM-2
(Pseudomonas aeruginosa (g-Proteobacteria)) | BDBM153698
(L-CS319)Show InChI InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Louis Stokes Cleveland Veterans Affairs Medical Center
| Assay Description
The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc... |
Biochemistry 54: 3183-96 (2015)
Article DOI: 10.1021/acs.biochem.5b00106
BindingDB Entry DOI: 10.7270/Q2513WZZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Metallo-beta-lactamase VIM-2
(Pseudomonas aeruginosa (g-Proteobacteria)) | BDBM153700
(L-VC26)Show SMILES CC1(C)S[C@H]2CS[C@H](CS)N2[C@@H]1C(O)=O |r| Show InChI InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Louis Stokes Cleveland Veterans Affairs Medical Center
| Assay Description
The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc... |
Biochemistry 54: 3183-96 (2015)
Article DOI: 10.1021/acs.biochem.5b00106
BindingDB Entry DOI: 10.7270/Q2513WZZ |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM152637
((2E)-1-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phe...)Show InChI InChI=1S/C17H13F3O2/c1-22-15-9-5-13(6-10-15)16(21)11-4-12-2-7-14(8-3-12)17(18,19)20/h2-11H,1H3/b11-4+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
More data for this
Ligand-Target Pair | |
VIM-24
(Klebsiella pneumoniae (Enterobacteria)) | BDBM153700
(L-VC26)Show SMILES CC1(C)S[C@H]2CS[C@H](CS)N2[C@@H]1C(O)=O |r| Show InChI InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m1/s1 | PDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Louis Stokes Cleveland Veterans Affairs Medical Center
| Assay Description
The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc... |
Biochemistry 54: 3183-96 (2015)
Article DOI: 10.1021/acs.biochem.5b00106
BindingDB Entry DOI: 10.7270/Q2513WZZ |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase VIM-2
(Pseudomonas aeruginosa (g-Proteobacteria)) | BDBM153699
(D-CS319)Show InChI InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Louis Stokes Cleveland Veterans Affairs Medical Center
| Assay Description
The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc... |
Biochemistry 54: 3183-96 (2015)
Article DOI: 10.1021/acs.biochem.5b00106
BindingDB Entry DOI: 10.7270/Q2513WZZ |
More data for this
Ligand-Target Pair | |
VIM-24
(Klebsiella pneumoniae (Enterobacteria)) | BDBM153698
(L-CS319)Show InChI InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m0/s1 | PDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Louis Stokes Cleveland Veterans Affairs Medical Center
| Assay Description
The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc... |
Biochemistry 54: 3183-96 (2015)
Article DOI: 10.1021/acs.biochem.5b00106
BindingDB Entry DOI: 10.7270/Q2513WZZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM15579
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Grace College of Pharmacy
| Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com... |
Bioorg Chem 62: 22-29 (2015)
Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795 |
More data for this
Ligand-Target Pair | |
VIM-24
(Klebsiella pneumoniae (Enterobacteria)) | BDBM153699
(D-CS319)Show InChI InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m1/s1 | PDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Louis Stokes Cleveland Veterans Affairs Medical Center
| Assay Description
The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc... |
Biochemistry 54: 3183-96 (2015)
Article DOI: 10.1021/acs.biochem.5b00106
BindingDB Entry DOI: 10.7270/Q2513WZZ |
More data for this
Ligand-Target Pair | |
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