human GIP(3-30)NH2   Click here for help

GtoPdb Ligand ID: 8971

Compound class: Peptide
Comment: A naturally occurring truncated variant of gastric inhibitory polypeptide (GIP) which acts as a high affinity competitive GIP receptor antagonist [1].
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)CC(=O)O)CC(=O)N)CCCCN)CCCCN)CCCCN)CCC(=O)N)C)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)CCC(=O)N)Cc1nc[nH]c1)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(CCC(=O)O)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO)C)CCSC)CC(=O)O
Isomeric SMILES CC[C@H](C)[C@H](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](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)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](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC
InChI InChI=1S/C189H285N49O55S/c1-17-97(10)153(238-183(286)139(92-240)232-170(273)126(76-105-53-55-109(242)56-54-105)220-178(281)137(85-151(258)259)228-182(285)138(91-239)233-187(290)155(99(12)19-3)237-181(284)128(75-104-42-24-21-25-43-104)229-188(291)156(102(15)241)234-146(249)90-204-159(262)112(195)57-64-147(250)251)185(288)208-101(14)158(261)211-122(65-71-294-16)166(269)226-134(82-148(252)253)176(279)214-118(51-33-38-69-193)167(270)236-154(98(11)18-2)186(289)230-131(79-108-88-201-93-206-108)173(276)216-120(59-62-141(197)244)164(267)215-121(60-63-142(198)245)165(268)225-135(83-149(254)255)177(280)221-127(74-103-40-22-20-23-41-103)180(283)235-152(96(8)9)184(287)231-133(81-144(200)247)175(278)222-130(78-107-87-203-114-47-29-27-45-111(107)114)172(275)219-125(73-95(6)7)169(272)218-124(72-94(4)5)168(271)207-100(13)157(260)210-119(58-61-140(196)243)163(266)212-115(48-30-35-66-190)160(263)205-89-145(248)209-116(49-31-36-67-191)161(264)213-117(50-32-37-68-192)162(265)224-132(80-143(199)246)174(277)227-136(84-150(256)257)179(282)223-129(77-106-86-202-113-46-28-26-44-110(106)113)171(274)217-123(189(292)293)52-34-39-70-194/h20-29,40-47,53-56,86-88,93-102,112,115-139,152-156,202-203,239-242H,17-19,30-39,48-52,57-85,89-92,190-195H2,1-16H3,(H2,196,243)(H2,197,244)(H2,198,245)(H2,199,246)(H2,200,247)(H,201,206)(H,204,262)(H,205,263)(H,207,271)(H,208,288)(H,209,248)(H,210,260)(H,211,261)(H,212,266)(H,213,264)(H,214,279)(H,215,267)(H,216,276)(H,217,274)(H,218,272)(H,219,275)(H,220,281)(H,221,280)(H,222,278)(H,223,282)(H,224,265)(H,225,268)(H,226,269)(H,227,277)(H,228,285)(H,229,291)(H,230,289)(H,231,287)(H,232,273)(H,233,290)(H,234,249)(H,235,283)(H,236,270)(H,237,284)(H,238,286)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,292,293)/t97-,98-,99-,100-,101-,102+,112-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,152-,153-,154-,155-,156-/m0/s1
InChI Key IOBVONZFFZDDEF-OTCKMHAFSA-N
Classification Click here for help
Compound class Peptide
Database Links Click here for help
Specialist databases
GPCRdb Ligand human GIP(3-30)NH2
Other databases
GtoPdb PubChem SID 310264751
PubChem CID 155817505
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