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PDBsum entry 4mf0
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Transferase/transferase inhibitor
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PDB id
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4mf0
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References listed in PDB file
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Key reference
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Title
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Structure-Based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible t cell kinase (itk).
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Authors
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C.H.Mackinnon,
K.Lau,
J.D.Burch,
Y.Chen,
J.Dines,
X.Ding,
C.Eigenbrot,
A.Heifetz,
A.Jaochico,
A.Johnson,
J.Kraemer,
S.Kruger,
T.M.Krülle,
M.Liimatta,
J.Ly,
R.Maghames,
C.A.Montalbetti,
D.F.Ortwine,
Y.Pérez-Fuertes,
S.Shia,
D.B.Stein,
G.Trani,
D.G.Vaidya,
X.Wang,
S.M.Bromidge,
L.C.Wu,
Z.Pei.
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Ref.
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Bioorg Med Chem Lett, 2013,
23,
6331-6335.
[DOI no: ]
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PubMed id
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Abstract
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Inhibition of the non-receptor tyrosine kinase ITK, a component of the T-cell
receptor signalling cascade, may represent a novel treatment for allergic
asthma. Here we report the structure-based optimization of a series of
benzothiazole amides that demonstrate sub-nanomolar inhibitory potency against
ITK with good cellular activity and kinase selectivity. We also elucidate the
binding mode of these inhibitors by solving the X-ray crystal structures of
several inhibitor-ITK complexes.
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