Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM513479
Substrate
n/a
Meas. Tech.
Ligand Binding Assay
EC50
25.1±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:
BDBM513479
Synonyms:
US11091482, Compound I-34
Type:
Small organic molecule
Emp. Form.:
C27H24Cl2N2O5
Mol. Mass.:
527.396
SMILES:
OC(=O)c1ccc(cc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:13.14,wD:15.19,10.10,THB:17:15:12.11:9,(-10.78,7.18,;-9.24,7.2,;-8.49,8.55,;-8.45,5.88,;-9.2,4.54,;-8.42,3.21,;-6.88,3.24,;-6.12,4.58,;-6.91,5.9,;-6.09,1.91,;-5.83,.4,;-6.8,-.93,;-5.64,-.23,;-5.04,1.09,;-3.31,1.12,;-3.05,-.4,;-4.01,.4,;-2.28,-1.74,;-.74,-1.74,;.03,-.41,;.03,-3.08,;-.6,-4.48,;.54,-5.51,;1.88,-4.74,;1.56,-3.24,;2.59,-2.09,;2.12,-.63,;.61,-.31,;3.15,.51,;4.65,.19,;5.13,-1.27,;4.1,-2.42,;4.57,-3.88,;-2.11,-4.8,;-3.25,-5.83,;-3.57,-4.32,)|
Structure:
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