Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50266566
Substrate
n/a
Meas. Tech.
TGR5/CRE Luciferase Assay
EC50
47.0±n/a nM
Citation
 Charton, JDeprez, BLeroux, FStaels, BMuhr-Tailleux, AHennuyer, NLestavel, SLassalle, MDubanchet, B Imidazol- or 1,2,4-triazol-derivatives and their use US Patent  US10323016 Publication Date 6/18/2019 
Target
Name:
G-protein coupled bile acid receptor 1
Synonyms:
BG37 | GPBAR1 | GPBAR_HUMAN | M-BAR | TGR5 | hBG37 | hGPCR19
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
35260.02
Organism:
Homo sapiens (Human)
Description:
CHO cells transiently transfected with hTGR5.
Residue:
330
Sequence:
MTPNSTGEVPSPIPKGALGLSLALASLIITANLLLALGIAWDRRLRSPPAGCFFLSLLLAGLLTGLALPTLPGLWNQSRRGYWSCLLVYLAPNFSFLSLLANLLLVHGERYMAVLRPLQPPGSIRLALLLTWAGPLLFASLPALGWNHWTPGANCSSQAIFPAPYLYLEVYGLLLPAVGAAAFLSVRVLATAHRQLQDICRLERAVCRDEPSALARALTWRQARAQAGAMLLFGLCWGPYVATLLLSVLAYEQRPPLGPGTLLSLLSLGSASAAAVPVAMGLGDQRYTAPWRAAAQRCLQGLWGRASRDSPGPSIAYHPSSQSSVDLDLN
  
Inhibitor
Name:
BDBM50266566
Synonyms:
CHEMBL4068227 | US10323016, Example 19
Type:
Small organic molecule
Emp. Form.:
C25H21F4N3O2S
Mol. Mass.:
503.512
SMILES:
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1F |(12.49,-10.11,;13.96,-9.63,;15.09,-10.67,;16.56,-10.2,;17.7,-11.23,;17.37,-12.73,;15.91,-13.21,;14.77,-12.18,;13.31,-12.65,;12.99,-14.15,;18.51,-13.76,;18.18,-15.27,;19.97,-13.3,;20.45,-11.83,;21.99,-11.84,;22.46,-13.31,;23.94,-13.8,;25.03,-12.71,;26.51,-13.15,;26.88,-14.63,;25.79,-15.72,;28.37,-15.07,;29.48,-14,;29.1,-12.5,;27.63,-12.08,;27.26,-10.58,;21.21,-14.21,;21.21,-15.75,;19.87,-16.51,;19.86,-18.05,;21.19,-18.83,;21.18,-20.37,;22.53,-18.06,;22.53,-16.52,;23.87,-15.76,)|
Structure:
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