Target
Bile acid receptor
Ligand
BDBM304715
Substrate
n/a
Meas. Tech.
Human FXR (NR1H4) Assay
EC50
550±n/a nM
Citation
 Or, YSMa, JWang, BHe, YXing, XShen, RGranger, BHe, JLong, JWang, G Isoxazole analogs as FXR agonists and methods of use thereof US Patent  US10144729 Publication Date 12/4/2018 
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:
BDBM304715
Synonyms:
US10144729, Example 2c
Type:
Small organic molecule
Emp. Form.:
C32H27Cl3N2O5S
Mol. Mass.:
657.991
SMILES:
Clc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc([C@@H]2C[C@H]2c2ccc(cc2)C(=O)NS(=O)(=O)C2CC2)c(Cl)c1 |r,wU:24.28,wD:22.24,(-12.48,18.35,;-11.39,19.44,;-11.79,20.93,;-10.7,22.01,;-9.21,21.62,;-8.81,20.13,;-7.33,19.73,;-9.9,19.04,;-9.5,17.55,;-10.41,16.31,;-9.5,15.06,;-8.04,15.54,;-6.95,14.45,;-6.55,12.96,;-5.46,14.05,;-8.04,17.08,;-6.71,17.85,;-5.37,17.08,;-4.04,17.85,;-2.71,17.08,;-1.37,17.85,;-1.37,19.39,;-.04,20.16,;1.3,20.93,;1.3,19.39,;2.63,20.16,;3.96,19.39,;5.3,20.16,;5.3,21.7,;3.96,22.47,;2.63,21.7,;6.63,22.47,;6.63,24.01,;7.96,21.7,;9.3,22.47,;8.53,23.8,;10.07,23.8,;10.63,21.7,;12.17,21.7,;11.4,20.36,;-2.71,20.16,;-2.71,21.7,;-4.04,19.39,)|
Structure:
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