3KFC

Complex Structure of LXR with an agonist

3KFC の概要

• エントリーDOI: 10.2210/pdb3kfc/pdb
• 分子名称: Oxysterols receptor LXR-beta, 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline (3 entities in total)
• 機能のキーワード: nuclear receptor, lxr, liver x receptor, lxr agonist, lxr ligand, dna-binding, metal-binding, nucleus, receptor, transcription, transcription regulation, zinc-finger
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus (Potential): P55055
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 117559.45

構造登録者

Olland, A.,Bernotas, R.C.,Unwalla, R. (登録日: 2009-10-27, 公開日: 2009-12-08, 最終更新日: 2024-02-21)

主引用文献

Bernotas, R.C.,Singhaus, R.R.,Kaufman, D.H.,Travins, J.M.,Ullrich, J.W.,Unwalla, R.,Quinet, E.,Evans, M.,Nambi, P.,Olland, A.,Kauppi, B.,Wilhelmsson, A.,Goos-Nilsson, A.,Wrobel, J.
4-(3-Aryloxyaryl)quinoline sulfones are potent liver X receptor agonists.
Bioorg.Med.Chem.Lett., 20:209-212, 2010

PubMed Abstract: A series of 4-(3-aryloxyaryl)quinolines with sulfone substituents on the terminal aryl ring (7) was prepared as LXR agonists. High affinity LXR ligands with excellent agonist potency and efficacy in functional assays of LXR activity were identified. In general, these sulfone agonists were equal to or superior to previously described alcohol and amide analogs in terms of affinity, functional potency, and microsomal stability. Many of the sulfones had LXRbeta binding IC(50) values <10nM while the most potent compounds in an ABCA1 mRNA induction assay in J774 mouse cells had EC(50) values <10nM and were as efficacious as T0901317.

PubMed: 19932617
DOI: 10.1016/j.bmcl.2009.10.132

実験手法

X-RAY DIFFRACTION (2.4 Å)