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PDBsum entry 3s3i
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Transferase/transferase inhibitor
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PDB id
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3s3i
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References listed in PDB file
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Key reference
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Title
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Novel triazolopyridylbenzamides as potent and selective p38α inhibitors.
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Authors
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J.Aiguadé,
C.Balagué,
I.Carranco,
F.Caturla,
M.Domínguez,
P.Eastwood,
C.Esteve,
J.González,
W.Lumeras,
A.Orellana,
S.Preciado,
R.Roca,
L.Vidal,
B.Vidal.
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Ref.
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Bioorg Med Chem Lett, 2012,
22,
3431-3436.
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PubMed id
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Abstract
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A new class of p38α inhibitors based on a biaryl-triazolopyridine scaffold was
investigated. X-ray crystallographic data of the initial lead compound
cocrystallised with p38α was crucial in order to uncover a unique binding mode
of the inhibitor to the hinge region via a pair of water molecules. Synthesis
and SAR was directed towards the improvement of binding affinity, as well as
ADME properties for this new class of p38α inhibitors and ultimately afforded
compounds showing good in vivo efficacy.
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