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PDBsum entry 4zae
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Hydrolase/hydrolase inhibitor
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PDB id
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4zae
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References listed in PDB file
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Key reference
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Title
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Development of a novel class of potent and selective fixa inhibitors.
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Authors
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T.Zhang,
P.Andre,
T.J.Bateman,
Y.H.Chen,
K.Desai,
K.Ellsworth,
W.M.Geissler,
L.Guo,
A.Hruza,
T.Jian,
D.Meng,
D.L.Parker,
X.Qian,
P.Reichert,
E.C.Sherer,
M.Shu,
C.J.Smith,
L.M.Sonatore,
R.Tschirret-Guth,
A.F.Nolting,
R.Orr,
L.C.Campeau,
K.Araki,
T.Nishimura,
I.Sakurada,
H.B.Wood.
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Ref.
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Bioorg Med Chem Lett, 2015,
25,
4945-4949.
[DOI no: ]
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PubMed id
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Abstract
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Using structure based drug design (SBDD), a novel class of potent coagulation
Factor IXa (FIXa) inhibitors was designed and synthesized. High selectivity over
FXa inhibition was achieved. Selected compounds demonstrated oral
bioavailability in rat IV/PO pharmacokinetic (PK) studies. Finally, the
pharmacodynamics (PD) of this class of molecules was evaluated in Thrombin
Generation Assay (TGA) in Corn Trypsin Inhibitor (CTI) citrated human plasma and
demonstrated characteristics of a FIXa inhibitor.
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