Target
Bile acid receptor
Ligand
BDBM322146
Substrate
n/a
Meas. Tech.
TR-FRET Farnesoid X Receptor Coactivator Assay
EC50
15.0±n/a nM
Citation
 Wang, XYang, XPan, SGuo, RWu, JZhang, YCheng, C Tricyclic compounds and uses thereof in medicine US Patent  US10183917 Publication Date 1/22/2019 
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:
BDBM322146
Synonyms:
US10183917, Example 7
Type:
Small organic molecule
Emp. Form.:
C27H19Cl2NO6S
Mol. Mass.:
556.414
SMILES:
OC(=O)c1ccc2CS(=O)c3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-9.44,1.31,;-7.95,1.71,;-7.55,3.19,;-6.86,.62,;-7.2,-.89,;-6.07,-1.93,;-4.6,-1.48,;-3.64,-2.68,;-2.1,-2.68,;-1.7,-4.17,;-1.14,-1.48,;.33,-1.93,;1.46,-.89,;2.95,-1.28,;4.04,-.19,;5.52,-.59,;6,-2.06,;7.54,-2.06,;8.01,-.59,;6.77,.31,;6.77,1.85,;8.1,2.62,;9.44,1.85,;8.1,4.16,;6.77,4.93,;5.44,4.16,;5.44,2.62,;4.1,1.85,;5.23,-3.39,;3.9,-4.16,;5.23,-4.93,;1.12,.62,;-.36,1.07,;-1.48,.02,;-2.87,.69,;-4.26,.02,;-5.39,1.07,)|
Structure:
Search PDB for entries with ligand similarity: