Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50511109
Substrate
n/a
Meas. Tech.
ChEMBL_1843848 (CHEMBL4344275)
EC50
15±n/a nM
Citation
 Romero, FA; Jones, CT; Xu, Y; Fenaux, M; Halcomb, RL The Race to Bash NASH: Emerging Targets and Drug Development in a Complex Liver Disease. J Med Chem 63:5031-5073 (2020) [PubMed]  Article 
Target
Name:
Bile acid receptor
Synonyms:
BAR | Bile acid receptor FXR | FXR | Farnesol receptor HRR-1 | HRR1 | NR1H4 | NR1H4_HUMAN | Nuclear receptor subfamily 1 group H member 4 | RIP14 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | farnesoid x receptor
Type:
Nuclear Receptor
Mol. Mass.:
55916.24
Organism:
Homo sapiens (Human)
Description:
Q96RI1
Residue:
486
Sequence:
MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
  
Inhibitor
Name:
BDBM50511109
Synonyms:
Cilofexor | GS 9674 | Gs-9674 | PX-104 | PX104
Type:
Small organic molecule
Emp. Form.:
C28H22Cl3N3O5
Mol. Mass.:
586.85
SMILES:
OC(=O)c1ccnc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(3.31,-11.16,;4.8,-10.76,;5.2,-9.28,;5.89,-11.85,;5.49,-13.35,;6.58,-14.43,;8.06,-14.03,;8.46,-12.54,;7.38,-11.45,;9.95,-12.14,;11.28,-12.91,;12.06,-11.55,;12.83,-10.22,;10.73,-10.78,;13.55,-11.16,;13.95,-9.67,;15.43,-9.27,;16.52,-10.36,;17.86,-9.59,;19.19,-10.36,;20.53,-9.59,;20.69,-8.06,;22.19,-7.75,;22.95,-9.08,;21.93,-10.21,;22.33,-11.7,;21.24,-12.79,;19.75,-12.39,;21.65,-14.28,;23.13,-14.67,;24.22,-13.58,;23.82,-12.1,;24.91,-11.01,;19.6,-6.97,;19.2,-5.48,;18.12,-6.57,;16.13,-11.84,;14.65,-12.25,;14.25,-13.74,)|
Structure:
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