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Target
Bile acid receptor
Ligand
BDBM304718
Substrate
n/a
Meas. Tech.
Human FXR (NR1H4) Assay
EC50
5500±n/a nM
Citation
 Or, YS; Ma, J; Wang, B; He, Y; Xing, X; Shen, R; Granger, B; He, J; Long, J; Wang, 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:
BDBM304718
Synonyms:
US10144729, Example 1b
Type:
Small organic molecule
Emp. Form.:
C31H29Cl3N4O5S
Mol. Mass.:
676.01
SMILES:
CN(C)S(=O)(=O)NC(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:16.16,wD:18.20,$;;;;;;HN;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(11.7,-10.84,;11.7,-12.38,;13.04,-13.15,;10.37,-13.15,;9.6,-14.48,;11.14,-14.48,;9.04,-12.38,;7.7,-13.15,;7.7,-14.69,;6.37,-12.38,;5.03,-13.15,;5.03,-14.69,;3.7,-15.46,;2.37,-14.69,;2.37,-13.15,;3.7,-12.38,;1.03,-15.46,;1.03,-13.92,;-.3,-14.69,;-1.63,-15.46,;-1.63,-17,;-2.97,-17.77,;-4.3,-17,;-5.63,-17.77,;-6.97,-17,;-8.3,-17.77,;-8.3,-19.31,;-9.77,-19.78,;-10.67,-18.54,;-9.77,-17.29,;-10.17,-15.8,;-11.65,-15.41,;-12.74,-16.49,;-12.05,-13.92,;-10.96,-12.83,;-9.48,-13.23,;-9.08,-14.72,;-7.59,-15.11,;-7.21,-20.4,;-6.81,-21.88,;-5.73,-20.8,;-4.3,-15.46,;-2.97,-14.69,;-2.97,-13.15,)|
Structure:
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