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Target
Bile acid receptor
Ligand
BDBM303498
Substrate
n/a
Meas. Tech.
Human FXR (NR1H4) Assay
EC50
<100±n/a nM
Citation
 Or, YS; He, Y; Shen, R; Xing, X; Granger, B; Wang, B; Ma, J; He, J; Long, J; Wang, G Isoxazole derivatives as FXR agonists and methods of use therof US Patent  US10138228 Publication Date 11/27/2018 
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:
BDBM303498
Synonyms:
US10138228, Example 3
Type:
Small organic molecule
Emp. Form.:
C30H28Cl2F3N5O5S
Mol. Mass.:
698.54
SMILES:
CN(C)S(=O)(=O)NC(=O)c1ccc(CN(C)c2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)nc2C(F)(F)F)cc1 |$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(9.4,14.4,;9.4,12.86,;10.73,12.09,;8.07,12.09,;7.3,10.75,;8.84,10.75,;6.73,12.86,;5.4,12.09,;5.4,10.55,;4.07,12.86,;4.07,14.4,;2.73,15.17,;1.4,14.4,;.06,15.17,;-1.27,14.4,;-1.27,12.86,;-2.6,15.17,;-2.6,16.71,;-3.94,17.48,;-5.27,16.71,;-6.6,17.48,;-7.94,16.71,;-9.27,17.48,;-9.27,19.02,;-10.74,19.49,;-11.64,18.25,;-10.74,17,;-11.51,15.67,;-12.99,15.27,;-14.08,16.36,;-13.39,13.78,;-12.3,12.69,;-10.82,13.09,;-10.42,14.58,;-8.93,14.98,;-7.94,19.79,;-6.4,19.79,;-7.17,21.12,;-5.27,15.17,;-3.94,14.34,;-3.94,12.8,;-3.94,11.26,;-2.4,12.8,;-5.48,12.8,;1.4,12.86,;2.73,12.09,)|
Structure:
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