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PDBsum entry 5k4l
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Oxidoreductase/inhibitor
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PDB id
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5k4l
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References listed in PDB file
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Key reference
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Title
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Design and evaluation of 1,7-Naphthyridones as novel kdm5 inhibitors.
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Authors
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S.S.Labadie,
P.S.Dragovich,
R.T.Cummings,
G.Deshmukh,
A.Gustafson,
N.Han,
J.C.Harmange,
J.R.Kiefer,
Y.Li,
J.Liang,
B.M.Liederer,
Y.Liu,
W.Manieri,
W.Mao,
L.Murray,
D.F.Ortwine,
P.Trojer,
E.Vanderporten,
M.Vinogradova,
L.Wen.
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Ref.
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Bioorg Med Chem Lett, 2016,
26,
4492-4496.
[DOI no: ]
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PubMed id
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Abstract
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Features from a high throughput screening (HTS) hit and a previously reported
scaffold were combined to generate 1,7-naphthyridones as novel KDM5 enzyme
inhibitors with nanomolar potencies. These molecules exhibited high selectivity
over the related KDM4C and KDM2B isoforms. An X-ray co-crystal structure of a
representative molecule bound to KDM5A showed that these inhibitors are
competitive with the co-substrate (2-oxoglutarate or 2-OG).
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