Reaction Details Report a problem with these data
Target
Bile acid receptor [187-472]
Ligand
BDBM402336
Substrate
n/a
Meas. Tech.
Mammalian One Hybrid (M1H) Assay
EC50
15.0±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:
BDBM402336
Synonyms:
US10329286, Example 8 | 6-(3-(2-chloro-4-((5- cyclopropyl-3-(2,6- dimethoxyphenyl)isoxazol-4- yl)methoxy)phenyl)-3- hydroxyazetidin-1-yl)-5- fluoronicotinic acid | US11247986, Example 8
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
COc1cccc(OC)c1-c1noc(C2CC2)c1COc1ccc(c(Cl)c1)C1(O)CN(C1)c1ncc(cc1F)C(O)=O |(3.59,-2.62,;4.92,-1.85,;6.26,-2.62,;6.26,-4.16,;7.59,-4.93,;8.92,-4.16,;8.92,-2.62,;10.26,-1.85,;11.59,-2.62,;7.59,-1.85,;7.59,-.31,;8.84,.59,;8.36,2.06,;6.82,2.06,;6.05,3.39,;6.05,4.93,;4.72,4.16,;6.34,.59,;5.01,-.18,;3.68,.59,;2.14,.59,;1.37,1.93,;-.17,1.93,;-.94,.59,;-.17,-.74,;-.94,-2.07,;1.37,-.74,;-2.48,.59,;-2.48,2.13,;-3.57,-.5,;-4.66,.59,;-3.57,1.68,;-6.2,.59,;-6.97,-.74,;-8.51,-.74,;-9.28,.59,;-8.51,1.93,;-6.97,1.93,;-6.2,3.26,;-10.82,.59,;-11.59,-.74,;-11.59,1.93,)|
Structure:
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