2p93

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{{STRUCTURE_2p93| PDB=2p93 | SCENE= }}
{{STRUCTURE_2p93| PDB=2p93 | SCENE= }}
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'''Factor xa in complex with the inhibitor 5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide'''
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===Factor xa in complex with the inhibitor 5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide===
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==Overview==
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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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(as it appears on PubMed at http://www.pubmed.gov), where 17588746 is the PubMed ID number.
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{{ABSTRACT_PUBMED_17588746}}
==About this Structure==
==About this Structure==
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[[Category: Protein inhibitor complex]]
[[Category: Protein inhibitor complex]]
[[Category: Serine protease]]
[[Category: Serine protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 12:38:38 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 05:35:51 2008''

Revision as of 02:35, 28 July 2008

Image:2p93.png

Template:STRUCTURE 2p93

Factor xa in complex with the inhibitor 5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide

Template:ABSTRACT PUBMED 17588746

About this Structure

2P93 is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa., Qiao JX, Chang CH, Cheney DL, Morin PE, Wang GZ, King SR, Wang TC, Rendina AR, Luettgen JM, Knabb RM, Wexler RR, Lam PY, Bioorg Med Chem Lett. 2007 Aug 15;17(16):4419-27. Epub 2007 Jun 10. PMID:17588746

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