Reaction Details Report a problem with these data
Target
Bile acid receptor [187-472]
Ligand
BDBM402333
Substrate
n/a
Meas. Tech.
Mammalian One Hybrid (M1H) Assay
EC50
3.10±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:
BDBM402333
Synonyms:
US10329286, Example 6 | 6-(3-(2-chloro-4-((5- cyclopropyl-3-(2,6- dichlorophenyl)isoxazol-4- yl)methoxy)phenyl)-3- hydroxyazetidin-1-yl)-2- (trifluoromethyl)nicotinic acid | US11247986, Example 6
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
OC(=O)c1ccc(nc1C(F)(F)F)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(-10.53,-3.37,;-9.21,-4.16,;-9.22,-5.7,;-7.86,-3.4,;-7.83,-1.83,;-6.5,-1.06,;-5.16,-1.83,;-5.16,-3.37,;-6.51,-4.19,;-6.49,-5.73,;-6.47,-7.27,;-4.95,-5.71,;-8.03,-5.74,;-3.83,-1.06,;-2.34,-1.46,;-1.94,.03,;-1.94,1.57,;-3.43,.42,;-.61,.8,;-.61,2.34,;.72,3.11,;2.06,2.34,;3.39,3.11,;4.72,2.34,;6.06,3.11,;6.06,4.65,;7.52,5.12,;8.43,3.88,;7.52,2.63,;7.92,1.14,;9.41,.74,;10.5,1.83,;9.81,-.74,;8.72,-1.83,;7.23,-1.43,;6.83,.05,;5.35,.45,;4.97,5.73,;4.57,7.22,;3.48,6.13,;2.06,.8,;.72,.03,;.72,-1.51,)|
Structure:
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