Brief Information of the Compound and Protein
Compound Name
(S)-6-amino-2-((2S,5S,11S,14S,25S)-14-benzyl-2-(3-guanidinopropyl)-11-((R)-1-hydroxyethyl)-5-methyl-4,7,10,13,16,19,22-heptaoxo-25-phenyl-3,6,9,12,15,18,21,24-octaazahexacosanamido)-N-((S)-1-((S)-1-((S)-1-((S)-1,6-diamino-1-oxohexan-2-ylamino)-5-guanidino-1-oxopentan-2-ylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-oxopropan-2-yl)hexanamide
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Canonical SMILES
C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CN[C@@H](C)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O
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Compound Formula C62H102N22O15
Compound Structure
Protein Name
Nociceptin receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
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
Kd = 13.8 nM
   TI
   LI
   LO
   TS
2
Kd = 21.38 nM
   TI
   LI
   LO
   TS