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 Cited by PubMed: 26819662DOI: 10.1021/ACSMEDCHEMLETT.5B00302 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.65 Å) |
Structure validation
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