BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetOxysterols receptor LXR-alpha
LigandBDBM304681
Substrate/Competitorn/a
Meas. Tech.LXR alpha/beta Radioligand Binding Assay
Ki 5.00±n/a nM
Citation Claremon DADong CFan YLeftheris KLotesta SDSingh SBTice CMZhao WZheng YZhuang L Piperazine derivatives as liver X receptor modulators US Patent  US10144715 Publication Date 12/4/2018  Article
More Info.:Get all data from this article,  Assay Method
 
Oxysterols receptor LXR-alpha
Name:Liver X receptor (LXR alpha AND LXR beta)
Synonyms:Liver X Receptor alpha (LXR-alpha) | Liver X receptor alpha | Liver X receptor alpha (LXRA) | Liver X receptor alpha (NR1H3) | Liver X, LXR alpha | Nuclear orphan receptor LXR-alpha | Nuclear receptor subfamily 1 group H member 3 | Oxysterols receptor LXR-alpha
Type:Receptor
Mol. Mass.:50403.85
Organism:Homo sapiens (Human)
Description:His-tagged hLXR.
Residue:447
Sequence:
MSLWLGAPVPDIPPDSAVELWKPGAQDASSQAQGGSSCILREEARMPHSAGGTAGVGLEA
AEPTALLTRAEPPSEPTEIRPQKRKKGPAPKMLGNELCSVCGDKASGFHYNVLSCEGCKG
FFRRSVIKGAHYICHSGGHCPMDTYMRRKCQECRLRKCRQAGMREECVLSEEQIRLKKLK
RQEEEQAHATSLPPRASSPPQILPQLSPEQLGMIEKLVAAQQQCNRRSFSDRLRVTPWPM
APDPHSREARQQRFAHFTELAIVSVQEIVDFAKQLPGFLQLSREDQIALLKTSAIEVMLL
ETSRRYNPGSESITFLKDFSYNREDFAKAGLQVEFINPIFEFSRAMNELQLNDAEFALLI
AISIFSADRPNVQDQLQVERLQHTYVEALHAYVSIHHPHDRLMFPRMLMKLVSLRTLSSV
HSEQVFALRLQDKKLPPLLSEIWDVHE
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM304681
n/a
NameBDBM304681
Synonyms:(4-((S)-3-isopropyl-4-(((1r,4S)-4-methoxy-4-(trifluoromethyl)cyclohexyl)methyl)piperazin-1-yl)-2-(methylsulfonyl)phenyl)methanol | US10144715, Compound 48-79
TypeSmall organic molecule
Emp. Form.C24H37F3N2O4S
Mol. Mass.506.622
SMILESCO[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:2.1,wD:5.5,12.13,2.32,(-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
Search PDB for entries with ligand similarity:Similarity to this molecule at least: