3KFC

Complex Structure of LXR with an agonist

Summary for 3KFC

• Entry DOI: 10.2210/pdb3kfc/pdb
• Descriptor: Oxysterols receptor LXR-beta, 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline (3 entities in total)
• Functional Keywords: nuclear receptor, lxr, liver x receptor, lxr agonist, lxr ligand, dna-binding, metal-binding, nucleus, receptor, transcription, transcription regulation, zinc-finger
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus (Potential): P55055
• Total number of polymer chains: 4
• Total formula weight: 117559.45

Authors

Olland, A.,Bernotas, R.C.,Unwalla, R. (deposition date: 2009-10-27, release date: 2009-12-08, Last modification date: 2024-02-21)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (2.4 Å)