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PDBsum entry 4h1m
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Transferase/transferase inhibitor
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PDB id
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4h1m
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References listed in PDB file
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Key reference
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Title
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Identification of novel series of pyrazole and indole-Urea based dfg-Out pyk2 inhibitors.
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Authors
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S.K.Bhattacharya,
G.E.Aspnes,
S.W.Bagley,
M.Boehm,
A.D.Brosius,
L.Buckbinder,
J.S.Chang,
J.Dibrino,
H.Eng,
K.S.Frederick,
D.A.Griffith,
M.C.Griffor,
C.R.Guimarães,
A.Guzman-Perez,
S.Han,
A.S.Kalgutkar,
J.Klug-Mcleod,
C.Garcia-Irizarry,
J.Li,
B.Lippa,
D.A.Price,
J.A.Southers,
D.P.Walker,
L.Wei,
J.Xiao,
M.P.Zawistoski,
X.Zhao.
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Ref.
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Bioorg Med Chem Lett, 2012,
22,
7523-7529.
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PubMed id
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Abstract
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Previous drug discovery efforts identified classical PYK2 kinase inhibitors such
as 2 and 3 that possess selectivity for PYK2 over its intra-family isoform FAK.
Efforts to identify more kinome-selective chemical matter that stabilize a
DFG-out conformation of the enzyme are described herein. Two sub-series of PYK2
inhibitors, an indole carboxamide-urea and a pyrazole-urea have been identified
and found to have different binding interactions with the hinge region of PYK2.
These leads proved to be more selective than the original classical inhibitors.
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