Brief Information of the Compound and Protein
Compound Name
(2S)-6-amino-2-((2S,5S,8S,11S,14S,17S,23S,26S,35S)-35-amino-11-(4-aminobutyl)-26-benzyl-2,14-bis(3-guanidinopropyl)-23-((R)-1-hydroxyethyl)-8-(hydroxymethyl)-5,17-dimethyl-4,7,10,13,16,19,22,25,28,31,34-undecaoxo-36-phenyl-3,6,9,12,15,18,21,24,27,30,33-undecaazahexatriacontanamido)-N-((2R)-1-amino-3-(1-((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S)-2,8,14,20,26,32-hexakis((1H-imidazol-5-yl)methyl)-1-amino-5,11,17,23,29,35-hexamethyl-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaoxo-3,6,9,12,15,18,21,24,27,30,33,36-dodecaazatetracontan-40-yl)-2,5-dioxopyrrolidin-3-ylthio)-1-oxopropan-2-yl)hexanamide
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Canonical SMILES
C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
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Compound Formula C126H187N49O31S
Compound Structure
Protein Name
Nociceptin receptor
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Opioid receptor
Uniprot ID
P41146
Gene Name
OPRL1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 7.943 nM
   TI
   LI
   LO
   TS
2
EC50 = 9.333 nM
   TI
   LI
   LO
   TS