Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50527040
Substrate
n/a
Meas. Tech.
ChEMBL_1901877 (CHEMBL4404099)
EC50
0.500000±n/a nM
Citation
 Chianelli, D; Rucker, PV; Roland, J; Tully, DC; Nelson, J; Liu, X; Bursulaya, B; Hernandez, ED; Wu, J; Prashad, M; Schlama, T; Liu, Y; Chu, A; Schmeits, J; Huang, DJ; Hill, R; Bao, D; Zoll, J; Kim, Y; Groessl, T; McNamara, P; Liu, B; Richmond, W; Sancho-Martinez, I; Phimister, A; Seidel, HM; Badman, MK; Joseph, SB; Laffitte, B; Molteni, V Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem 63:3868-3880 (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:
BDBM50527040
Synonyms:
LJN-452 | LJN452 | NVP-LJN452-NXA | Tropifexor
Type:
Small organic molecule
Emp. Form.:
C29H25F4N3O5S
Mol. Mass.:
603.585
SMILES:
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)N2c1nc2c(F)cc(cc2s1)C(O)=O |r,TLB:31:30:2.3:6.7.8|
Structure:
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