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 Abstract: Potent and selective class IIa HDAC tetrasubstituted cyclopropane hydroxamic acid inhibitors were identified with high oral bioavailability that exhibited good brain and muscle exposure. Compound 14 displayed suitable properties for assessment of the impact of class IIa HDAC catalytic site inhibition in preclinical disease models.

PubMed: 26819662
DOI: 10.1021/ACSMEDCHEMLETT.5B00302

実験手法

X-RAY DIFFRACTION (2.65 Å)