Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM402326
Substrate
n/a
Meas. Tech.
FRET Activity Assay
EC50
4.40±n/a nM
Citation
 Blomgren, PA; Currie, KS; Farand, J; Gege, C; Kropf, JE; Xu, J FXR (NR1H4) modulating compounds US Patent  US11247986 Publication Date 2/15/2022 
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:
BDBM402326
Synonyms:
6-(3-(2-chloro-4-((5- cyclopropyl-3-(2,6- dichlorophenyl)isoxazol-4- yl)methoxy)phenyl)-3- hydroxyazetidin-1-yl)-2- methylnicotinic acid | US10329286, Example 3 | US11247986, Example 3
Type:
Small organic molecule
Emp. Form.:
C29H24Cl3N3O5
Mol. Mass.:
600.877
SMILES:
Cc1nc(ccc1C(O)=O)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(-6.5,-6.07,;-6.5,-4.53,;-5.16,-3.76,;-5.16,-2.22,;-6.5,-1.45,;-7.83,-2.22,;-7.88,-3.79,;-9.21,-4.56,;-9.21,-6.1,;-10.55,-3.79,;-3.83,-1.45,;-2.34,-1.85,;-1.94,-.36,;-1.94,1.18,;-3.43,.04,;-.61,.41,;-.61,1.95,;.72,2.72,;2.06,1.95,;3.39,2.72,;4.72,1.95,;6.06,2.72,;6.06,4.26,;7.52,4.74,;8.43,3.49,;7.52,2.25,;7.92,.76,;9.41,.36,;10.5,1.45,;9.81,-1.13,;8.72,-2.22,;7.23,-1.82,;6.83,-.33,;5.35,.07,;4.97,5.35,;4.57,6.84,;3.48,5.75,;2.06,.41,;.72,-.36,;.72,-1.9,)|
Structure:
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