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PDBsum entry 3k5k
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References listed in PDB file
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Key reference
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Title
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Discovery of a 2,4-Diamino-7-Aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase g9a.
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Authors
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F.Liu,
X.Chen,
A.Allali-Hassani,
A.M.Quinn,
G.A.Wasney,
A.Dong,
D.Barsyte,
I.Kozieradzki,
G.Senisterra,
I.Chau,
A.Siarheyeva,
D.B.Kireev,
A.Jadhav,
J.M.Herold,
S.V.Frye,
C.H.Arrowsmith,
P.J.Brown,
A.Simeonov,
M.Vedadi,
J.Jin.
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Ref.
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J Med Chem, 2009,
52,
7950-7953.
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PubMed id
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Abstract
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SAR exploration of the 2,4-diamino-6,7-dimethoxyquinazoline template led to the
discovery of 8 (UNC0224) as a potent and selective G9a inhibitor. A high
resolution X-ray crystal structure of the G9a-8 complex, the first cocrystal
structure of G9a with a small molecule inhibitor, was obtained. The cocrystal
structure validated our binding hypothesis and will enable structure-based
design of novel inhibitors. 8 is a useful tool for investigating the biology of
G9a and its roles in chromatin remodeling.
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