Reaction Details  Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50562016
Substrate
n/a
Meas. Tech.
ChEMBL_2297796
EC50
62±n/a nM
Citation
 Dorel, R; Wong, AR; Crawford, JJ Trust Your Gut: Strategies and Tactics for Intestinally Restricted Drugs. ACS Med Chem Lett 14:233-243 (2023) [PubMed]
Target
Name:
G-protein coupled bile acid receptor 1
Synonyms:
GPBAR_MOUSE | Gpbar1 | M-BAR | Membrane-type receptor for bile acids | Tgr5
Type:
PROTEIN
Mol. Mass.:
35665.78
Organism:
Mus musculus
Description:
ChEMBL_1475560
Residue:
329
Sequence:
MMTPNSTELSAIPMGVLGLSLALASLIVIANLLLALGIALDRHLRSPPAGCFFLSLLLAGLLTGLALPMLPGLWSRNHQGYWSCLLLHLTPNFCFLSLLANLLLVHGERYMAVLQPLRPHGSVRLALFLTWVSSLFFASLPALGWNHWSPDANCSSQAVFPAPYLYLEVYGLLLPAVGATALLSVRVLATAHRQLCEIRRLERAVCRDVPSTLARALTWRQARAQAGATLLFLLCWGPYVATLLLSVLAYERRPPLGPGTLLSLISLGSTSAAAVPVAMGLGDQRYTAPWRTAAQRCLRVLRGRAKRDNPGPSTAYHTSSQCSIDLDLN
  
Inhibitor
Name:
BDBM50562016
Synonyms:
CHEMBL4789628
Type:
Small organic molecule
Emp. Form.:
C32H57NO8
Mol. Mass.:
583.7969
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC)[C@H](C)CCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |r|
Structure:
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