Brief Information of the Compound and Protein
Compound Name
(R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-N-(2-((S)-3-(4-fluorophenyl)-1-oxo-1-(4-(N-phenylpropionamido)piperidin-1-yl)propan-2-ylamino)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
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PubChem ID
CID: 50994531
SID: 117640665
Canonical SMILES
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
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Compound Formula C46H53FN6O6
Compound Structure
Protein Name
Delta-type opioid 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
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 = 1.072 nM
   TI
   LI
   LO
   TS
2
Ki = 0.48 nM
   TI
   LI
   LO
   TS