Brief Information of the Compound and Protein
Compound Name
(S)-3-((3S,6S,9S,12S,18R,26S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-2-yl)methyl)-18-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-9-(4-chlorobenzyl)-6-(3-guanidinopropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,21-heptaazacyclohexacosane-26-carboxamido)-4-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-oxobutanoic acid
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PubChem ID
CID: 49798106
Canonical SMILES
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
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Compound Formula C66H81ClN18O14
Compound Structure
Protein Name
Delta-type opioid receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
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Opioid receptor
Uniprot ID
P41143
Gene Name
OPRD1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000661 HN9.10e Mus musculus (Mouse)  2
1
IC50 = 2511.89 nM
   TI
   LI
   LO
   TS
2
Ki = 1300 nM
   TI
   LI
   LO
   TS