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PDBsum entry 2p94
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References listed in PDB file
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Key reference
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Title
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Sar and X-Ray structures of enantiopure 1,2-Cis-(1r,2s)-Cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation factor xa.
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Authors
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J.X.Qiao,
C.H.Chang,
D.L.Cheney,
P.E.Morin,
G.Z.Wang,
S.R.King,
T.C.Wang,
A.R.Rendina,
J.M.Luettgen,
R.M.Knabb,
R.R.Wexler,
P.Y.Lam.
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Ref.
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Bioorg Med Chem Lett, 2007,
17,
4419-4427.
[DOI no: ]
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PubMed id
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Abstract
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In the search of Factor Xa (FXa) inhibitors structurally different from the
pyrazole-based series, we identified a viable series of enantiopure
cis-(1R,2S)-cycloalkyldiamine derivatives as potent and selective inhibitors of
FXa. Among them, cyclohexyldiamide 7 and cyclopentyldiamide 9 were the most
potent neutral compounds, and had good anticoagulant activity comparable to the
pyrazole-based analogs. Crystal structures of 7-FXa and 9-FXa illustrate binding
similarities and differences between the five- and the six-membered core
systems, and provide rationales for the observed SAR of P1 and linker moieties.
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