NMU (104-114)   Click here for help

GtoPdb Ligand ID: 10569

Comment: This peptide is a variant of neuromedin U-25. It exhibits agonist activity at the orphan GPCR, bombesin receptor subtype 3 (BB3; BRS3) [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)N)CC(C)C)CCCCN)CCC(=O)N)C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)N)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)Cc1ccc(cc1)O)CO
Isomeric SMILES NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCCN)CCC(=O)N)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)Cc1ccc(cc1)O)CO
InChI InChI=1S/C69H103N17O15/c1-39(2)30-51(59(74)91)80-61(93)48(20-12-14-28-70)77-62(94)50(26-27-57(73)90)79-69(101)58(41(5)88)86-63(95)49(21-13-15-29-71)78-68(100)56(37-87)85-66(98)54(34-44-22-24-46(89)25-23-44)83-67(99)55(35-45-36-75-38-76-45)84-65(97)53(33-43-18-10-7-11-19-43)82-64(96)52(31-40(3)4)81-60(92)47(72)32-42-16-8-6-9-17-42/h6-11,16-19,22-25,36,38-41,47-56,58,87-89H,12-15,20-21,26-35,37,70-72H2,1-5H3,(H2,73,90)(H2,74,91)(H,75,76)(H,77,94)(H,78,100)(H,79,101)(H,80,93)(H,81,92)(H,82,96)(H,83,99)(H,84,97)(H,85,98)(H,86,95)/t41-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,58+/m1/s1
InChI Key LAHQIXAOZMTTQC-LEOUQZHDSA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
GtoPdb PubChem SID 404859016
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