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TitleDesign, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 9934-9954, Year 2013
Publish dateOct 16, 2013 (structure data deposition date)
AuthorsBurli, R.W. / Luckhurst, C.A. / Aziz, O. / Matthews, K.L. / Yates, D. / Lyons, K.A. / Beconi, M. / McAllister, G. / Breccia, P. / Stott, A.J. ...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.
External linksJ. Med. Chem. / PubMed:24261862
MethodsX-ray diffraction
Resolution2.72 - 3.03 Å
Structure data

PDB-4cbt:
Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease
Method: X-RAY DIFFRACTION / Resolution: 3.03 Å

PDB-4cby:
Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease
Method: X-RAY DIFFRACTION / Resolution: 2.72 Å

Chemicals

ChemComp-9F4:
(1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-KEE:
(1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide

ChemComp-NA:
Unknown entry

Source
  • homo sapiens (human)
KeywordsHYDROLASE / NEURODEGENERATION / HUNTINGTONS DISEASE / AMYOTROPHIC LATERAL SCLEROSIS / MUSCLE ATROPHY / CLASS IIA HISTONE DEACETYLASE INHIBITORS / SAR / HYDROXAMIC ACID / CYCLOPROPANATION

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