Reaction Details
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Report a problem with these dataTarget
Bile acid receptor [187-472]
Ligand
BDBM402321
Substrate
n/a
Meas. Tech.
Mammalian One Hybrid (M1H) Assay
EC50
2.60±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:
BDBM402321
Synonyms:
US10329286, Example 2 | 6-(3-(2-chloro-4-((5- cyclopropyl-3-(2,6- dichlorophenyl)isoxazol-4- yl)methoxy)phenyl)-3- hydroxyazetidin-1- yl)nicotinic acid | US11247986, Example 2
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
OC(=O)c1ccc(nc1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(-9.05,-23.69,;-9.04,-22.15,;-10.38,-21.38,;-7.71,-21.38,;-7.71,-19.84,;-6.38,-19.07,;-5.04,-19.84,;-5.04,-21.38,;-6.38,-22.15,;-3.71,-19.07,;-3.31,-17.58,;-1.82,-17.98,;-1.82,-16.44,;-2.22,-19.47,;-.49,-17.21,;-.49,-15.67,;.84,-14.9,;2.18,-15.67,;3.51,-14.9,;4.84,-15.67,;6.18,-14.9,;6.18,-13.36,;7.64,-12.88,;8.55,-14.13,;7.64,-15.37,;8.04,-16.86,;6.95,-17.95,;5.46,-17.55,;7.35,-19.44,;8.84,-19.84,;9.93,-18.75,;9.53,-17.26,;10.62,-16.17,;5.09,-12.27,;4.69,-10.78,;3.6,-11.87,;2.18,-17.21,;.84,-17.98,;.84,-19.52,)|
Structure:
