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PDBsum entry 3tu7
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Hydrolase/hydrolase inhibitor
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PDB id
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3tu7
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References listed in PDB file
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Key reference
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Title
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Molecular design and structure--Activity relationships leading to the potent, Selective, And orally active thrombin active site inhibitor bms-189664.
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Authors
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J.Das,
S.D.Kimball,
S.E.Hall,
W.C.Han,
E.Iwanowicz,
J.Lin,
R.V.Moquin,
J.A.Reid,
J.S.Sack,
M.F.Malley,
C.Y.Chang,
S.Chong,
D.B.Wang-Iverson,
D.G.Roberts,
S.M.Seiler,
W.A.Schumacher,
M.L.Ogletree.
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Ref.
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Bioorg Med Chem Lett, 2002,
12,
45-49.
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PubMed id
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Abstract
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A series of structurally novel small molecule inhibitors of human alpha-thrombin
was prepared to elucidate their structure-activity relationships (SARs),
selectivity and activity in vivo. BMS-189664 (3) is identified as a potent,
selective, and orally active reversible inhibitor of human alpha-thrombin which
is efficacious in vivo in a mouse lethality model, and at inhibiting both
arterial and venous thrombosis in cynomolgus monkey models.
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