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

Related4CBY
DescriptorHISTONE 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 Keywordshydrolase, neurodegeneration, huntingtons disease, amyotrophic lateral sclerosis, muscle atrophy, class iia histone deacetylase inhibitors, sar, hydroxamic acid, cyclopropanation
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationNucleus P56524
Total number of polymer chains3
Total molecular weight129833.44
Authors
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 (PDB entries with the same primary citation)
DOI: 10.1021/jm4011884
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3.03 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2665 0.7% 2.0% 0.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
171916
PDB entries from 2020-12-02