Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM513477
Substrate
n/a
Meas. Tech.
Ligand Binding Assay
EC50
39.8±n/a nM
Citation
 Chao, J; Jain, R; Hu, L; Lewis, JG; Baribault, H; Caldwell, J Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators US Patent  US11091482 Publication Date 8/17/2021 
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:
BDBM513477
Synonyms:
US11091482, Compound I-32
Type:
Small organic molecule
Emp. Form.:
C29H24Cl2FN3O5S
Mol. Mass.:
616.487
SMILES:
OC(=O)c1cc(F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:14.15,17.19,wD:19.24,THB:9:13:19.20.18:15.16,(7.84,-3.69,;6.75,-4.77,;7.52,-6.11,;5.21,-4.77,;4.44,-3.44,;2.9,-3.44,;2.13,-2.11,;2.13,-4.77,;.62,-5.09,;.46,-6.63,;1.87,-7.25,;2.9,-6.11,;4.44,-6.11,;-.87,-7.4,;-2.21,-6.63,;-2.98,-7.96,;-2.35,-8.89,;-.87,-8.94,;-2.21,-9.71,;-3.54,-8.94,;-3.54,-7.4,;-4.88,-9.71,;-6.21,-8.94,;-6.21,-7.4,;-7.54,-9.71,;-8.88,-8.94,;-9.35,-7.47,;-10.89,-7.47,;-11.37,-8.94,;-10.12,-9.84,;-10.12,-11.38,;-11.66,-11.38,;-12.43,-10.05,;-12.43,-12.71,;-11.66,-14.05,;-10.12,-14.05,;-9.35,-12.71,;-7.81,-12.71,;-8.58,-6.14,;-8.58,-4.6,;-7.25,-5.37,)|
Structure:
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