Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM513469
Substrate
n/a
Meas. Tech.
Ligand Binding Assay
EC50
12.6±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:
BDBM513469
Synonyms:
US11091482, Compound I-24
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)c1c(onc1-c1c(Cl)cccc1Cl)C1CCC1 |r,wU:17.19,wD:14.15,19.24,THB:21:19:13:15.16,(.45,13.52,;-.89,12.75,;-2.22,13.52,;-.89,11.21,;.45,10.44,;.45,8.9,;1.78,8.13,;-.89,8.13,;-1.21,6.62,;-2.74,6.46,;-3.37,7.87,;-2.22,8.9,;-2.22,10.44,;-3.51,5.13,;-4.71,4.16,;-6.34,4.36,;-5.16,3.69,;-3.72,3.81,;-2.85,2.31,;-4.05,1.34,;-3.82,2.57,;-4.84,.02,;-4.09,-1.32,;-2.55,-1.35,;-4.88,-2.65,;-6.42,-2.78,;-6.76,-4.29,;-5.44,-5.08,;-4.28,-4.06,;-2.78,-4.41,;-1.73,-3.28,;-2.18,-1.81,;-.23,-3.62,;.23,-5.09,;-.82,-6.22,;-2.32,-5.88,;-3.37,-7.01,;-7.43,-1.62,;-8.97,-1.52,;-8.86,.02,;-7.32,-.09,)|
Structure:
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