Reaction Details Report a problem with these data
Target
Bile acid receptor [187-472]
Ligand
BDBM402326
Substrate
n/a
Meas. Tech.
Mammalian One Hybrid (M1H) 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  US10329286 Publication Date 6/25/2019 
Target
Name:
Bile acid receptor [187-472]
Synonyms:
NM_005123 | nuclear receptor subfamily 1 group H member 4 (NR1H4) | M1H (aa 187-472) | NR1H4_HUMAN | NR1H4 | BAR | FXR | HRR1 | RIP14
Type:
Enzyme Catalytic Domain
Mol. Mass.:
34120.87
Organism:
Human
Description:
Q96RI1[187-472]
Residue:
292
Sequence:
RKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDEIWDVQ
  
Inhibitor
Name:
BDBM402326
Synonyms:
US10329286, Example 3 | 6-(3-(2-chloro-4-((5- cyclopropyl-3-(2,6- dichlorophenyl)isoxazol-4- yl)methoxy)phenyl)-3- hydroxyazetidin-1-yl)-2- methylnicotinic acid | US11247986, Example 3
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
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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