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TitleDesign and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 4492-4496, Year 2016
Publish dateMay 20, 2016 (structure data deposition date)
AuthorsLabadie, S.S. / Dragovich, P.S. / Cummings, R.T. / Deshmukh, G. / Gustafson, A. / Han, N. / Harmange, J.C. / Kiefer, J.R. / Li, Y. / Liang, J. ...Labadie, S.S. / Dragovich, P.S. / Cummings, R.T. / Deshmukh, G. / Gustafson, A. / Han, N. / Harmange, J.C. / Kiefer, J.R. / Li, Y. / Liang, J. / Liederer, B.M. / Liu, Y. / Manieri, W. / Mao, W. / Murray, L. / Ortwine, D.F. / Trojer, P. / VanderPorten, E. / Vinogradova, M. / Wen, L.
External linksBioorg. Med. Chem. Lett. / PubMed:27499454
MethodsX-ray diffraction
Resolution3.179 Å
Structure data

PDB-5k4l:
Crystal structure of KDM5A in complex with a naphthyridone inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.179 Å

Chemicals

ChemComp-NI:
NICKEL (II) ION

ChemComp-ZN:
Unknown entry

ChemComp-6QN:
~{N}-ethyl-4-oxidanyl-2-oxidanylidene-1~{H}-1,7-naphthyridine-3-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOxidoreductase/Inhibitor / epigenetics / demethylase / jumonji / inhibitor / cancer / Oxidoreductase-Inhibitor complex

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