Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2-bromofuran-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromene-7-carboxylate
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 PubChem ID
CID: 11526334
SID: 16628277
Canonical SMILES
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1Br
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Compound Formula C23H27BrO8
Compound Structure
Protein Name
 Protein Info 
Kappa-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
P41145
Gene Name
OPRK1
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)  5
1
EC50 = 0.04 nM
   TI
   LI
   LO
   TS
2
EC50 = 2.4 nM
   TI
   LI
   LO
   TS
3
EC50 = 50 nM
   TI
   LI
   LO
   TS
4
Ki = 2.9 nM
   TI
   LI
   LO
   TS
5
Ki = 3 nM
   TI
   LI
   LO
   TS