gastrin releasing peptide(14-27) (human)   Click here for help

GtoPdb Ligand ID: 6175

Synonyms: GRP(14-27)
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CSCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=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)O)CCSC)CC(C)C)Cc1c[nH]cn1)C(C)C)C)Cc1c[nH]c2c1cccc2)Cc1c[nH]cn1)CC(=O)N)CCCN=C(N)N)Cc1ccc(cc1)O)N
Isomeric SMILES CSCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C
InChI InChI=1S/C75H109N23O17S2/c1-39(2)26-52(67(107)92-51(74(114)115)21-25-117-7)93-68(108)54(29-44-33-80-37-86-44)89-61(102)36-85-72(112)62(40(3)4)97-63(103)41(5)88-66(106)53(28-43-32-83-49-13-9-8-12-47(43)49)94-69(109)55(30-45-34-81-38-87-45)95-70(110)56(31-59(77)100)90-60(101)35-84-65(105)50(14-10-22-82-75(78)79)91-71(111)58-15-11-23-98(58)73(113)57(27-42-16-18-46(99)19-17-42)96-64(104)48(76)20-24-116-6/h8-9,12-13,16-19,32-34,37-41,48,50-58,62,83,99H,10-11,14-15,20-31,35-36,76H2,1-7H3,(H2,77,100)(H,80,86)(H,81,87)(H,84,105)(H,85,112)(H,88,106)(H,89,102)(H,90,101)(H,91,111)(H,92,107)(H,93,108)(H,94,109)(H,95,110)(H,96,104)(H,97,103)(H,114,115)(H4,78,79,82)/t41-,48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
InChI Key MJHJYGACUDLDMG-QEJDUTAOSA-N
References
1. Uehara H, Gonz├ílez N, Sancho V, Mantey SA, Nuche-Berenguer B, Pradhan T, Coy DH, Jensen RT. (2011)
Pharmacology and selectivity of various natural and synthetic bombesin related peptide agonists for human and rat bombesin receptors differs.
Peptides, 32 (8): 1685-99. [PMID:21729729]