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PDBsum entry 5cf4
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Transferase/transferase inhibitor
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PDB id
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5cf4
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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 of selective janus kinase 2 imidazo[4,5-D]pyrrolo[2,3-B]pyridine inhibitors.
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Authors
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A.C.Hart,
G.M.Schroeder,
H.Wan,
J.Grebinski,
J.Inghrim,
J.Kempson,
J.Guo,
W.J.Pitts,
J.S.Tokarski,
J.S.Sack,
J.A.Khan,
J.Lippy,
M.V.Lorenzi,
D.You,
T.Mcdevitt,
R.Vuppugalla,
Y.Zhang,
L.J.Lombardo,
G.L.Trainor,
A.V.Purandare.
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Ref.
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Acs Med Chem Lett, 2015,
6,
845-849.
[DOI no: ]
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PubMed id
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Note: In the PDB file this reference is
annotated as "TO BE PUBLISHED". The citation details given above have
been manually determined.
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Abstract
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Early hit to lead work on a pyrrolopyridine chemotype provided access to
compounds with biochemical and cellular potency against Janus kinase 2 (JAK2).
Structure-based drug design along the extended hinge region of JAK2 led to the
identification of an important H-bond interaction with the side chain of Tyr
931, which improved JAK family selectivity. The 4,5-dimethyl thiazole analogue
18 demonstrated high levels of JAK family selectivity and was identified as a
promising lead for the program.
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