Target
Bile acid receptor
Ligand
BDBM21719
Substrate
BDBM10852
Meas. Tech.
Cotransfection Assay
pH
7.2±n/a
Temperature
310.15±n/a K
EC50
22200±n/a nM
Comments
Antagonist activity.
Citation
 Kainuma, MMakishima, MHashimoto, YMiyachi, H Design, synthesis, and evaluation of non-steroidal farnesoid X receptor (FXR) antagonist. Bioorg Med Chem 15:2587-600 (2007) [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:
BDBM21719
Synonyms:
3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(naphthalen-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid | Isoxazole derivative, 10f
Type:
Small organic molecule
Emp. Form.:
C35H22Cl3NO4
Mol. Mass.:
626.912
SMILES:
OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccc4ccccc4c3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.79,5.16,;.54,5.93,;1.88,5.16,;3.21,5.93,;4.55,5.16,;4.55,3.62,;3.21,2.85,;1.88,3.62,;.54,2.85,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate