Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[3-[4-[[5-(3,4-Dimethoxy-N-methyl-anilino)-1-(4-fluorophenyl)-imidazol-2-yl]sulfanylmethyl]-3,5-difluoro-phenoxy]propyl-(2-sulfonatoethyl)amino]ethanesulfonate-diammonium
    Show/Hide
 PubChem ID
CID: 126673451
Canonical SMILES
COc1ccc(N(C)c2cnc(SCc3c(F)cc(OCCCN(CCS(=O)(=O)O)CCS(=O)(=O)O)cc3F)n2-c2ccc(F)cc2)cc1OC.N.N
    Show/Hide
Compound Formula C32H43F3N6O9S3
Compound Structure
Protein Name
 Protein Info 
G-protein coupled bile acid receptor 1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Lipid-like ligand receptor (family A GPCR)
>
Steroid-like ligand receptor
Uniprot ID
Q8TDU6
Gene Name
GPBAR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 77 nM
   TI
   LI
   LO
   TS