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PDBsum entry 1nt1
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Blood clotting/hydrolase inhibitor
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PDB id
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1nt1
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Contents |
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* Residue conservation analysis
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References listed in PDB file
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Key reference
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Title
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Design and synthesis of potent and selective macrocyclic thrombin inhibitors.
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Authors
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P.G.Nantermet,
J.C.Barrow,
C.L.Newton,
J.M.Pellicore,
M.Young,
S.D.Lewis,
B.J.Lucas,
J.A.Krueger,
D.R.Mcmasters,
Y.Yan,
L.C.Kuo,
J.P.Vacca,
H.G.Selnick.
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Ref.
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Bioorg Med Chem Lett, 2003,
13,
2781-2784.
[DOI no: ]
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PubMed id
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Abstract
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A series of potent and selective proline- and pyrazinone-based macrocyclic
thrombin inhibitors is described. Detailed SAR studies led to the incorporation
of specific functional groups in the tether that enhanced functional activity
against thrombin and provided exquisite selectivity against trypsin and tPA.
X-ray crystallography and molecular modeling studies revealed the
inhibitor-enzyme interactions responsible for this selectivity.
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