Reaction Details
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Report a problem with these dataTarget
Bile acid receptor [187-472]
Ligand
BDBM402341
Substrate
n/a
Meas. Tech.
Mammalian One Hybrid (M1H) Assay
EC50
3.80±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:
BAR | FXR | HRR1 | M1H (aa 187-472) | NM_005123 | NR1H4 | NR1H4_HUMAN | RIP14 | nuclear receptor subfamily 1 group H member 4 (NR1H4)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
34120.87
Organism:
Homo sapiens (Human)
Description:
Q96RI1[187-472]
Residue:
292
Sequence:
RKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDEIWDVQ
Inhibitor
Name:
BDBM402341
Synonyms:
6-(3-(2-chloro-4-((4- cyclopropyl-1-(2,6- dichlorophenyl)-1H-pyrazol- 5-yl)methoxy)phenyl)-3- hydroxyazetidin-1-yl)-5- fluoronicotinic acid | US10329286, Example 11 | US11247986, Example 11
Type:
Small organic molecule
Emp. Form.:
C28H22Cl3FN4O4
Mol. Mass.:
603.856
SMILES:
OC(=O)c1cnc(N2CC(O)(C2)c2ccc(OCc3c(cnn3-c3c(Cl)cccc3Cl)C3CC3)cc2Cl)c(F)c1 |(-10.92,-.74,;-10.15,.59,;-10.92,1.93,;-8.61,.59,;-7.84,-.74,;-6.3,-.74,;-5.53,.59,;-3.99,.59,;-2.91,-.5,;-1.82,.59,;-1.82,2.13,;-2.91,1.68,;-.28,.59,;.49,1.93,;2.03,1.93,;2.8,.59,;4.34,.59,;5.68,-.18,;7.01,.59,;7.49,2.06,;9.03,2.06,;9.5,.59,;8.26,-.31,;8.26,-1.85,;6.92,-2.62,;5.59,-1.85,;6.92,-4.16,;8.26,-4.93,;9.59,-4.16,;9.59,-2.62,;10.92,-1.85,;6.72,3.39,;6.72,4.93,;5.38,4.16,;2.03,-.74,;.49,-.74,;-.28,-2.07,;-6.3,1.93,;-5.53,3.26,;-7.84,1.93,)|
Structure:
