Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid ((S)-1-carbamoyl-2-hydroxy-ethyl)-amide
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 PubChem ID
CID: 5485199
SID: 15337522
Canonical SMILES
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
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Compound Formula C40H50N8O10
Compound Structure
Protein Name
 Protein Info 
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)
>
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
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 0.72 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
Ki = 1.585 nM
   TI
   LI
   LO
   TS
2
Ki = 19.5 nM
   TI
   LI
   LO
   TS
CL000004 SH-SY5Y
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 81.28 nM
   TI
   LI
   LO
   TS
2
EC50 = 128.82 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.4 nM
2 Ki = 0.54 nM