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PDBsum entry 4l7f
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Transferase/transferase inhibitor
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PDB id
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4l7f
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References listed in PDB file
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Key reference
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Title
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Hit-To-Lead optimization and kinase selectivity of imidazo[1,2-A]quinoxalin-4-Amine derived jnk1 inhibitors.
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Authors
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B.Li,
O.M.Cociorva,
T.Nomanbhoy,
H.Weissig,
Q.Li,
K.Nakamura,
M.Liyanage,
M.C.Zhang,
A.Y.Shih,
A.Aban,
Y.Hu,
J.Cajica,
L.Pham,
J.W.Kozarich,
K.R.Shreder.
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Ref.
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Bioorg Med Chem Lett, 2013,
23,
5217-5222.
[DOI no: ]
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PubMed id
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Abstract
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As the result of a rhJNK1 HTS, the imidazo[1,2-a]quinoxaline 1 was identified as
a 1.6μM rhJNK1 inhibitor. Optimization of this compound lead to AX13587 (rhJNK1
IC50=160nM) which was co-crystallized with JNK1 to identify key molecular
interactions. Kinase profiling against 125+ kinases revealed AX13587 was an
inhibitor of JNK, MAST3, and MAST4 whereas its methylene homolog AX14373 (native
JNK1 IC50=47nM) was a highly specific JNK inhibitor.
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