Reaction Details Report a problem with these data
Target
Oxysterols receptor LXR-alpha
Ligand
BDBM304636
Substrate
n/a
Meas. Tech.
LXR alpha/beta Radioligand Binding Assay
Ki
42.0±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:
BDBM304636
Synonyms:
(S)-4-(3-(methylsulfonyl)phenyl)-2-phenyl-1-(((1s,4R)-4-(trifluoromethyl)cyclohexyl)methyl)piperazine | US10144715, Compound 48-31
Type:
Small organic molecule
Emp. Form.:
C25H29F3N2O3S
Mol. Mass.:
494.57
SMILES:
CS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccccc1)C(=O)C1CC[C@@H](CC1)C(F)(F)F |r,wU:27.33,wD:14.17,(2.97,10.89,;3.74,9.56,;5.07,10.33,;5.07,8.79,;2.97,8.22,;3.74,6.89,;2.97,5.56,;1.43,5.56,;.66,6.89,;1.43,8.22,;-.88,6.89,;-1.65,8.22,;-3.19,8.22,;-3.96,6.89,;-3.19,5.56,;-1.65,5.56,;-3.96,4.22,;-5.5,4.22,;-6.27,2.89,;-5.5,1.55,;-3.96,1.55,;-3.19,2.89,;-5.5,6.89,;-6.27,5.56,;-6.27,8.22,;-5.5,9.56,;-6.27,10.89,;-7.81,10.89,;-8.58,9.56,;-7.81,8.22,;-8.58,12.22,;-10.12,12.22,;-7.81,13.56,;-7.04,12.22,)|
Structure:
Search PDB for entries with ligand similarity: