Brief Information of the Compound and Protein
Compound Name
N-[(4R,4aS,7S,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-isoquinolin-3-ylpropanamide
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PubChem ID
CID: 72164055
Canonical SMILES
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)CCc1cc2ccccc2cn1
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Compound Formula C32H35N3O4
Compound Structure
Protein Name
Mu-type opioid receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Opioid receptor
Uniprot ID
P42866
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)  2
1
EC50 = 1.14 nM
   TI
   LI
   LO
   TS
2
Ki = 0.68 nM
   TI
   LI
   LO
   TS