Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetG-protein coupled bile acid receptor 1
LigandBDBM19190
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1572018 (CHEMBL3796546)
IC50 251±n/a nM
Citation Agarwal, SPatil, AAware, UDeshmukh, PDarji, BSasane, SSairam, KVPriyadarsiny, PGiri, PPatel, HGiri, SJain, MDesai, RC Discovery of a Potent and Orally Efficacious TGR5 Receptor Agonist. ACS Med Chem Lett7:51-5 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
G-protein coupled bile acid receptor 1
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:
MTPNSTGEVPSPIPKGALGLSLALASLIITANLLLALGIAWDRRLRSPPAGCFFLSLLLA
GLLTGLALPTLPGLWNQSRRGYWSCLLVYLAPNFSFLSLLANLLLVHGERYMAVLRPLQP
PGSIRLALLLTWAGPLLFASLPALGWNHWTPGANCSSQAIFPAPYLYLEVYGLLLPAVGA
AAFLSVRVLATAHRQLQDICRLERAVCRDEPSALARALTWRQARAQAGAMLLFGLCWGPY
VATLLLSVLAYEQRPPLGPGTLLSLLSLGSASAAAVPVAMGLGDQRYTAPWRAAAQRCLQ
GLWGRASRDSPGPSIAYHPSSQSSVDLDLN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM19190
n/a
NameBDBM19190
Synonyms:(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one | CHEMBL131 | Delta-Cortef | Deltacortril | Prednisolone | US10196374, Prednisolone
TypeSteroid
Emp. Form.C21H28O5
Mol. Mass.360.444
SMILES[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: