6FYZ

Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor

6FYZ の概要

• エントリーDOI: 10.2210/pdb6fyz/pdb
• 分子名称: Histone deacetylase 4, (2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide, ZINC ION, ... (5 entities in total)
• 機能のキーワード: hydroxamic acid, cns-penetrant, hdac4 inhibition, class iia hdac inhibitor, hydrolase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 129866.38

構造登録者

Luckhurst, C.A.,Maillard, M.C.,Dominguez, C. (登録日: 2018-03-13, 公開日: 2018-12-05, 最終更新日: 2024-01-17)

• 主引用文献: Luckhurst, C.A.,Aziz, O.,Beaumont, V.,Burli, R.W.,Breccia, P.,Maillard, M.C.,Haughan, A.F.,Lamers, M.,Leonard, P.,Matthews, K.L.,Raphy, G.,Stott, A.J.,Munoz-Sanjuan, I.,Thomas, B.,Wall, M.,Wishart, G.,Yates, D.,Dominguez, C.; Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor.; Bioorg. Med. Chem. Lett., 29:83-88, 2019; PubMed: 30463802; DOI: 10.1016/j.bmcl.2018.11.009

実験手法

X-RAY DIFFRACTION (2.15 Å)