Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM513473
Substrate
n/a
Meas. Tech.
Ligand Binding Assay
EC50
200±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:
BDBM513473
Synonyms:
US11091482, Compound I-28
Type:
Small organic molecule
Emp. Form.:
C30H27Cl2N3O5
Mol. Mass.:
580.458
SMILES:
Cn1cc(C(O)=O)c2ccc(cc12)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:17.19,wD:14.15,19.24,THB:21:19:13:15.16,(-8.85,7.53,;-7.35,7.85,;-6.72,9.26,;-5.19,9.1,;-4.16,10.24,;-4.63,11.71,;-2.65,9.92,;-4.87,7.59,;-3.53,6.82,;-3.53,5.28,;-4.87,4.51,;-6.2,5.28,;-6.2,6.82,;-4.87,2.97,;-5.42,1.54,;-6.94,.89,;-5.58,.9,;-4.39,1.73,;-2.89,.87,;-3.45,-.57,;-3.86,.61,;-3.47,-2.11,;-2.15,-2.9,;-.8,-2.15,;-2.17,-4.44,;-3.43,-5.33,;-2.98,-6.8,;-1.44,-6.83,;-.94,-5.37,;.53,-4.91,;.88,-3.41,;-.25,-2.37,;2.35,-2.96,;3.48,-4.01,;3.13,-5.51,;1.66,-5.96,;1.32,-7.46,;-4.89,-4.83,;-5.9,-3.67,;-6.4,-5.13,)|
Structure:
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