endomorphin-1   

GtoPdb Ligand ID: 1623

Comment: The amino acid sequence of endomorphin-1 is believed to be common across mammalian species [3].

An endogenous peptide, the gene encoding the endomorphin precursor has not yet been identified [2].
Species: Human
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES Oc1ccc(cc1)CC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)N
Isomeric SMILES Oc1ccc(cc1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)N
InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
InChI Key ZEXLJFNSKAHNFH-SYKYGTKKSA-N
Classification
Compound class Endogenous peptide in human, mouse or rat
IUPAC Name
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Gene/Precursor
Gene symbol Gene name Species Precursor protein name Synonyms
Human Unknown endomorphin-1 precursor protein -
Database Links
BindingDB Ligand 50095155
CAS Registry No. 189388-22-5 (source: Tocris)
ChEMBL Ligand CHEMBL316446
GtoPdb PubChem SID 135652148
PubChem CID 5311080
Search Google for chemical match using the InChIKey ZEXLJFNSKAHNFH-SYKYGTKKSA-N
Search Google for chemicals with the same backbone ZEXLJFNSKAHNFH
Search UniChem for chemical match using the InChIKey ZEXLJFNSKAHNFH-SYKYGTKKSA-N
Search UniChem for chemicals with the same backbone ZEXLJFNSKAHNFH
Wikipedia Endomorphin-1

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Tocris
Endomorphin-1
Cat. No. 1055