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Target
Oxysterols receptor LXR-beta
Ligand
BDBM304697
Substrate
n/a
Meas. Tech.
LXR alpha/beta Radioligand Binding Assay
Ki
6.00±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-beta
Synonyms:
LXRB | Liver X receptor beta (NR1H2) | Liver X, LXR beta | NER | NR1H2 | NR1H2_HUMAN | Nuclear receptor NER | UNR | Ubiquitously-expressed nuclear receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
50978.79
Organism:
Homo sapiens (Human)
Description:
P55055
Residue:
460
Sequence:
MSSPTTSSLDTPLPGNGPPQPGAPSSSPTVKEEGPEPWPGGPDPDVPGTDEASSACSTDWVIPDPEEEPERKRKKGPAPKMLGHELCRVCGDKASGFHYNVLSCEGCKGFFRRSVVRGGARRYACRGGGTCQMDAFMRRKCQQCRLRKCKEAGMREQCVLSEEQIRKKKIRKQQQESQSQSQSPVGPQGSSSSASGPGASPGGSEAGSQGSGEGEGVQLTAAQELMIQQLVAAQLQCNKRSFSDQPKVTPWPLGADPQSRDARQQRFAHFTELAIISVQEIVDFAKQVPGFLQLGREDQIALLKASTIEIMLLETARRYNHETECITFLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMRRLGLDDAEYALLIAINIFSADRPNVQEPGRVEALQQPYVEALLSYTRIKRPQDQLRFPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVHE
  
Inhibitor
Name:
BDBM304697
Synonyms:
4-((S)-3-isopropyl-4-(((1s,4R)-4-(trifluoromethyl)cyclohexyl)methyl)piperazin-1-yl)-2-(methylsulfonyl)benzonitrile | US10144715, Compound 50-1
Type:
Small organic molecule
Emp. Form.:
C23H32F3N3O2S
Mol. Mass.:
471.579
SMILES:
CC(C)[C@H]1CN(CCN1C[C@H]1CC[C@H](CC1)C(F)(F)F)c1ccc(C#N)c(c1)S(C)(=O)=O |r,wU:10.10,13.17,wD:3.2,(5.51,-26.58,;4.17,-25.81,;2.84,-26.58,;4.17,-24.27,;5.51,-23.5,;5.51,-21.96,;4.17,-21.19,;2.84,-21.96,;2.84,-23.5,;1.51,-24.27,;.17,-23.5,;-1.16,-24.27,;-2.5,-23.5,;-2.5,-21.96,;-1.16,-21.19,;.17,-21.96,;-3.83,-21.19,;-5.16,-21.96,;-3.83,-19.65,;-3.83,-22.73,;6.84,-21.19,;8.17,-21.96,;9.51,-21.19,;9.54,-19.62,;10.88,-18.87,;12.23,-18.11,;8.18,-18.84,;6.84,-19.65,;8.17,-17.3,;9.71,-17.28,;8.15,-15.76,;6.63,-17.32,)|
Structure:
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