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Target
Oxysterols receptor LXR-alpha
Ligand
BDBM304682
Substrate
n/a
Meas. Tech.
LXR alpha/beta Radioligand Binding Assay
Ki
30.0±n/a nM
Citation
 Claremon, DA; Dong, C; Fan, Y; Leftheris, K; Lotesta, SD; Singh, SB; Tice, CM; Zhao, W; Zheng, Y; Zhuang, L Piperazine derivatives as liver X receptor modulators US Patent  US10144715 Publication Date 12/4/2018 
Target
Name:
Oxysterols receptor LXR-alpha
Synonyms:
LXRA | Liver X Receptor alpha (LXR-alpha) | Liver X receptor alpha | Liver X receptor alpha (LXRA) | Liver X receptor alpha (NR1H3) | Liver X, LXR alpha | NR1H3 | NR1H3_HUMAN | Nuclear orphan receptor LXR-alpha | Nuclear receptor subfamily 1 group H member 3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
50403.85
Organism:
Homo sapiens (Human)
Description:
Q13133
Residue:
447
Sequence:
MSLWLGAPVPDIPPDSAVELWKPGAQDASSQAQGGSSCILREEARMPHSAGGTAGVGLEAAEPTALLTRAEPPSEPTEIRPQKRKKGPAPKMLGNELCSVCGDKASGFHYNVLSCEGCKGFFRRSVIKGAHYICHSGGHCPMDTYMRRKCQECRLRKCRQAGMREECVLSEEQIRLKKLKRQEEEQAHATSLPPRASSPPQILPQLSPEQLGMIEKLVAAQQQCNRRSFSDRLRVTPWPMAPDPHSREARQQRFAHFTELAIVSVQEIVDFAKQLPGFLQLSREDQIALLKTSAIEVMLLETSRRYNPGSESITFLKDFSYNREDFAKAGLQVEFINPIFEFSRAMNELQLNDAEFALLIAISIFSADRPNVQDQLQVERLQHTYVEALHAYVSIHHPHDRLMFPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVHE
  
Inhibitor
Name:
BDBM304682
Synonyms:
(4-((S)-3-isopropyl-4-(((1s,4R)-4-methoxy-4-(trifluoromethyl)cyclohexyl)methyl)piperazin-1-yl)-2-(methylsulfonyl)phenyl)methanol | US10144715, Compound 48-80
Type:
Small organic molecule
Emp. Form.:
C24H37F3N2O4S
Mol. Mass.:
506.622
SMILES:
CO[C@@]1(CC[C@H](CN2CCN(C[C@@H]2C(C)C)c2ccc(CO)c(c2)S(C)(=O)=O)CC1)C(F)(F)F |r,wU:2.32,wD:5.5,12.13,2.1,(-4.86,4.25,;-5.95,3.16,;-5.55,1.67,;-4.06,2.07,;-2.98,.98,;-3.37,-.51,;-2.28,-1.59,;-.8,-1.2,;-.4,.29,;1.09,.69,;2.18,-.4,;1.78,-1.89,;.29,-2.28,;-.11,-3.77,;-1.59,-4.17,;.98,-4.86,;3.67,,;4.75,-1.09,;6.24,-.69,;6.64,.8,;8.13,1.2,;8.53,2.68,;5.55,1.89,;4.06,1.49,;5.95,3.37,;7.44,2.98,;6.35,4.86,;4.46,3.77,;-4.86,-.9,;-5.95,.18,;-7.04,2.07,;-8.53,2.47,;-6.64,3.56,;-7.44,.58,)|
Structure:
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