Ki Summary

Reaction Details

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Target

Oxysterols receptor LXR-beta

Ligand

BDBM304697

Substrate/Competitor

n/a

Meas. Tech.

LXR alpha/beta Radioligand Binding Assay

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

More Info.:

Get all data from this article, Assay Method

Oxysterols receptor LXR-beta

Name:

Oxysterols receptor LXR-beta

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

50978.79

Organism:

Homo sapiens (Human)

Description:

P55055

Residue:

460

Sequence:

MSSPTTSSLDTPLPGNGPPQPGAPSSSPTVKEEGPEPWPGGPDPDVPGTDEASSACSTDW
VIPDPEEEPERKRKKGPAPKMLGHELCRVCGDKASGFHYNVLSCEGCKGFFRRSVVRGGA
RRYACRGGGTCQMDAFMRRKCQQCRLRKCKEAGMREQCVLSEEQIRKKKIRKQQQESQSQ
SQSPVGPQGSSSSASGPGASPGGSEAGSQGSGEGEGVQLTAAQELMIQQLVAAQLQCNKR
SFSDQPKVTPWPLGADPQSRDARQQRFAHFTELAIISVQEIVDFAKQVPGFLQLGREDQI
ALLKASTIEIMLLETARRYNHETECITFLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMR
RLGLDDAEYALLIAINIFSADRPNVQEPGRVEALQQPYVEALLSYTRIKRPQDQLRFPRM
LMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVHE

BDBM304697

n/a

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