Reaction Details Report a problem with these data
Target
Bile acid receptor [187-472]
Ligand
BDBM402305
Substrate
n/a
Meas. Tech.
Mammalian One Hybrid (M1H) Assay
EC50
6.10±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:
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:
BDBM402305
Synonyms:
6-(3-(2-chloro-4-((5- cyclopropyl-3-(3,5- dichloropyridin-4- yl)isoxazol-4- yl)methoxy)phenyl)-3- hydroxyazetidin-1- yl)nicotinic acid | US10329286, Example 1 | US11247986, Example 1
Type:
Small organic molecule
Emp. Form.:
C27H21Cl3N4O5
Mol. Mass.:
587.838
SMILES:
OC(=O)c1ccc(nc1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1Cl |(-10.1,-3.96,;-9.7,-2.47,;-10.79,-1.38,;-8.21,-2.07,;-7.82,-.58,;-6.33,-.18,;-5.24,-1.27,;-5.64,-2.76,;-7.13,-3.16,;-3.75,-.87,;-2.42,-1.64,;-1.65,-.31,;-1.65,1.23,;-2.98,.46,;-.16,.09,;.24,1.58,;1.73,1.97,;2.81,.89,;4.3,1.28,;5.39,.19,;6.88,.59,;7.35,2.06,;8.89,2.06,;9.37,.59,;8.12,-.31,;8.12,-1.85,;9.46,-2.62,;10.79,-1.85,;9.46,-4.16,;8.12,-4.93,;6.79,-4.16,;6.79,-2.62,;5.46,-1.85,;6.58,3.39,;6.58,4.93,;5.25,4.16,;2.42,-.6,;.93,-1,;.53,-2.49,)|
Structure:
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