Reaction Details
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Report a problem with these dataTarget
Bile acid receptor [187-472]
Ligand
BDBM402337
Substrate
n/a
Meas. Tech.
Mammalian One Hybrid (M1H) Assay
EC50
57.0±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 More Info.:
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:
BDBM402337
Synonyms:
US10329286, Example 9 | 6-(3-(2-chloro-4-((5- cyclopropyl-3-(2,6-dichloro- 4-methylphenyl)isoxazol-4- yl)methoxy)phenyl)-3- hydroxyazetidin-1-yl)-5- fluoronicotinic acid | US11247986, Example 9
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
Cc1cc(Cl)c(-c2noc(C3CC3)c2COc2ccc(c(Cl)c2)C2(O)CN(C2)c2ncc(cc2F)C(O)=O)c(Cl)c1 |(8.26,-5.7,;8.26,-4.16,;6.92,-3.39,;6.92,-1.85,;5.59,-1.08,;8.26,-1.08,;8.26,.46,;9.5,1.36,;9.03,2.83,;7.49,2.83,;6.72,4.16,;6.72,5.7,;5.38,4.93,;7.01,1.36,;5.68,.59,;4.34,1.36,;2.8,1.36,;2.03,2.7,;.49,2.7,;-.28,1.36,;.49,.03,;-.28,-1.3,;2.03,.03,;-1.82,1.36,;-1.82,2.9,;-2.91,.27,;-3.99,1.36,;-2.91,2.45,;-5.53,1.36,;-6.3,.03,;-7.84,.03,;-8.61,1.36,;-7.84,2.7,;-6.3,2.7,;-5.53,4.03,;-10.15,1.36,;-10.92,.03,;-10.92,2.7,;9.59,-1.85,;10.92,-1.08,;9.59,-3.39,)|
Structure:
