5A2S

Potent, selective and CNS-penetrant tetrasubstituted cyclopropane class IIa histone deacetylase (HDAC) inhibitors

5A2S の概要

• エントリーDOI: 10.2210/pdb5a2s/pdb
• 分子名称: HISTONE DEACETYLASE 4, (1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, ZINC ION, ... (5 entities in total)
• 機能のキーワード: hydrolase, class iia hdac inhibitors, hydroxamic acid, cns exposure, tetrasubstituted cyclopropane, cyclopropanation, huntington's disease
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Nucleus: P56524
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 86553.43

構造登録者

Luckhurst, C.A.,Breccia, P.,Stott, A.J.,Aziz, O.,Birch, H.,Burli, R.W.,Hughes, S.,Jarvis, R.E.,Lamers, M.,Leonard, P.,Matthews, K.L.,McAllister, G.,Pollack, S.,Saville-Stones, E.,Wishart, G.,Yates, D.,Dominguez, C. (登録日: 2015-05-22, 公開日: 2016-02-10, 最終更新日: 2024-01-10)

• 主引用文献: Luckhurst, C.A.,Breccia, P.,Stott, A.J.,Aziz, O.,Birch, H.L.,Burli, R.W.,Hughes, S.J.,Jarvis, R.E.,Lamers, M.,Leonard, P.M.,Matthews, K.L.,Mcallister, G.,Pollack, S.,Saville-Stones, E.,Wishart, G.,Yates, D.,Dominguez, C.; Potent, Selective, and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors.; Acs Med.Chem.Lett., 7:34-, 2016; PubMed: 26819662; DOI: 10.1021/ACSMEDCHEMLETT.5B00302

実験手法

X-RAY DIFFRACTION (2.65 Å)