Brief Information of the Compound and Protein
Compound Name
(S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-1-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)pyrrolidine-2-carboxamide
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PubChem ID
CID: 11983337
SID: 17434311
Canonical SMILES
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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Compound Formula C36H42N6O5
Compound Structure
Protein Name
Mu-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
P35372
Gene Name
OPRM1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.1 nM
   TI
   LI
   LO
   TS
CL000004 SH-SY5Y Homo sapiens (Human)  2
1
IC50 = 0.43 nM
   TI
   LI
   LO
   TS
2
Ki = 0.059 nM
   TI
   LI
   LO
   TS