6FYZ

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

Summary for 6FYZ

Entry DOI	10.2210/pdb6fyz/pdb
Descriptor	Histone deacetylase 4, (2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide, ZINC ION, ... (5 entities in total)
Functional Keywords	hydroxamic acid, cns-penetrant, hdac4 inhibition, class iia hdac inhibitor, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	3
Total formula weight	129866.38
Authors	Luckhurst, C.A.,Maillard, M.C.,Dominguez, C. (deposition date: 2018-03-13, release date: 2018-12-05, Last modification date: 2024-01-17)
Primary citation	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 Cited by PubMed: 30463802 DOI: 10.1016/j.bmcl.2018.11.009 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.15 Å)

Structure validation