Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
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 PubChem ID
CID: 73349068
Canonical SMILES
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
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Compound Formula C44H54ClN7O4
Compound Structure
Protein Name
 Protein Info 
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
 Cell Line Info 
Mus musculus (Mouse)  2
1
IC50 = 524.81 nM
   TI
   LI
   LO
   TS
2
Ki = 250 nM
   TI
   LI
   LO
   TS