Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM434774
Substrate
n/a
Meas. Tech.
Receptor Coactivator Assay
EC50
15.5±n/a nM
Citation
 Wang, X; Yang, X; Wu, J; Xiong, S; Pan, S; Cao, S; Zhang, Y Nitrogen-containing tricyclic compounds and uses thereof in medicine US Patent  US10562910 Publication Date 2/18/2020 
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:
BDBM434774
Synonyms:
US10562910, Example 14
Type:
Small organic molecule
Emp. Form.:
C28H20Cl2N2O5
Mol. Mass.:
535.375
SMILES:
CC1=Cc2ccc(cc2Oc2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)nc12)C(O)=O |t:1,(-1.32,-3.86,;-2.09,-2.53,;-3.63,-2.53,;-4.59,-1.33,;-6.07,-1.78,;-7.19,-.73,;-6.85,.77,;-5.38,1.22,;-4.25,.17,;-2.86,.84,;-1.48,.17,;-.35,1.22,;1.12,.77,;1.47,-.73,;2.94,-1.19,;4.07,-.14,;5.54,-.59,;6.01,-2.06,;7.55,-2.06,;8.03,-.59,;6.78,.31,;6.78,1.85,;5.45,2.62,;4.12,1.85,;5.45,4.16,;6.78,4.93,;8.12,4.16,;8.12,2.62,;9.45,1.85,;5.24,-3.39,;3.91,-4.16,;5.24,-4.93,;.34,-1.78,;-1.13,-1.33,;-7.98,1.82,;-9.45,1.36,;-7.64,3.32,)|
Structure:
Search PDB for entries with ligand similarity: