5A2S

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

Summary for 5A2S

• Entry DOI: 10.2210/pdb5a2s/pdb
• Descriptor: 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)
• Functional Keywords: hydrolase, class iia hdac inhibitors, hydroxamic acid, cns exposure, tetrasubstituted cyclopropane, cyclopropanation, huntington's disease
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Nucleus: P56524
• Total number of polymer chains: 2
• Total formula weight: 86553.43

Authors

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. (deposition date: 2015-05-22, release date: 2016-02-10, Last modification date: 2024-01-10)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.65 Å)