Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM513495
Substrate
n/a
Meas. Tech.
Ligand Binding Assay
EC50
20.0±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:
BDBM513495
Synonyms:
US11091482, Compound I-41
Type:
Small organic molecule
Emp. Form.:
C27H23Cl2FN2O5
Mol. Mass.:
545.386
SMILES:
OC(=O)c1ccc(cc1F)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:14.15,11.11,wD:16.20,THB:6:10:17.16.15:13.12,(8.81,-3.17,;7.48,-3.94,;7.48,-5.48,;6.14,-3.17,;6.14,-1.63,;4.81,-.86,;3.47,-1.63,;3.47,-3.17,;4.81,-3.94,;4.81,-5.48,;2.14,-.86,;2.14,.68,;.6,.68,;.04,-.29,;.81,-1.63,;-.53,-.86,;-.53,.68,;.81,1.45,;-1.86,1.45,;-3.19,.68,;-3.19,-.86,;-4.53,1.45,;-4.69,2.98,;-6.2,3.3,;-6.97,1.97,;-5.94,.83,;-5.94,-.71,;-5.17,-2.05,;-3.63,-2.05,;-5.94,-3.38,;-7.48,-3.38,;-8.25,-2.05,;-7.48,-.71,;-8.81,.06,;-3.54,4.01,;-2.04,4.33,;-3.07,5.48,)|
Structure:
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