4CBT

Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease

Summary for 4CBT

• Entry DOI: 10.2210/pdb4cbt/pdb
• Related: 4CBY
• Descriptor: HISTONE DEACETYLASE 4, (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, ZINC ION, ... (4 entities in total)
• Functional Keywords: hydrolase, neurodegeneration, huntingtons disease, amyotrophic lateral sclerosis, muscle atrophy, class iia histone deacetylase inhibitors, sar, hydroxamic acid, cyclopropanation
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Nucleus: P56524
• Total number of polymer chains: 3
• Total formula weight: 129833.44

Authors

Burli, R.W.,Luckhurst, C.A.,Aziz, O.,Matthews, K.L.,Yates, D.,Lyons, K.A.,Beconi, M.,McAllister, G.,Breccia, P.,Stott, A.J.,Penrose, S.D.,Wall, M.,Lamers, M.,Leonard, P.,Mueller, I.,Richardson, C.M.,Jarvis, R.,Stones, L.,Hughes, S.,Wishart, G.,Haughan, A.F.,O'Connell, C.,Mead, T.,McNeil, H.,Vann, J.,Mangette, J.,Maillard, M.,Beaumont, V.,Munoz-Sanjuan, I.,Dominguez, C. (deposition date: 2013-10-16, release date: 2013-12-11, Last modification date: 2018-02-07)

• Primary citation: Burli, R.W.,Luckhurst, C.A.,Aziz, O.,Matthews, K.L.,Yates, D.,Lyons, K.A.,Beconi, M.,McAllister, G.,Breccia, P.,Stott, A.J.,Penrose, S.D.,Wall, M.,Lamers, M.,Leonard, P.,Muller, I.,Richardson, C.M.,Jarvis, R.,Stones, L.,Hughes, S.,Wishart, G.,Haughan, A.F.,O'Connell, C.,Mead, T.,McNeil, H.,Vann, J.,Mangette, J.,Maillard, M.,Beaumont, V.,Munoz-Sanjuan, I.,Dominguez, C.; Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.; J. Med. Chem., 56:9934-9954, 2013; PubMed: 24261862; DOI: 10.1021/jm4011884

Experimental method

X-RAY DIFFRACTION (3.03 Å)