2p93

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[[Image:2p93.jpg|left|200px]]
[[Image:2p93.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2p93 |SIZE=350|CAPTION= <scene name='initialview01'>2p93</scene>, resolution 1.90&Aring;
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The line below this paragraph, containing "STRUCTURE_2p93", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=ME1:5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE'>ME1</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_2p93| PDB=2p93 | SCENE= }}
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|RELATEDENTRY=[[2p94|2P94]], [[2p95|2P95]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2p93 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2p93 OCA], [http://www.ebi.ac.uk/pdbsum/2p93 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2p93 RCSB]</span>
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}}
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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'''
'''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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[[Category: Protein complex]]
[[Category: Protein complex]]
[[Category: Chang, C H.]]
[[Category: Chang, C H.]]
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[[Category: blood coagulation factor]]
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[[Category: Blood coagulation factor]]
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[[Category: calcium-binding]]
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[[Category: Calcium-binding]]
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[[Category: glycoprotein]]
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[[Category: Glycoprotein]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: plasma]]
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[[Category: Plasma]]
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[[Category: protein inhibitor complex]]
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[[Category: Protein inhibitor complex]]
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[[Category: serine protease]]
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[[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 Mar 31 04:32:36 2008''
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Revision as of 09:38, 4 May 2008

Image:2p93.jpg

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


Overview

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.

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 Page seeded by OCA on Sun May 4 12:38:38 2008

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OCA

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