2d1j

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[[Image:2d1j.gif|left|200px]]
[[Image:2d1j.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2d1j |SIZE=350|CAPTION= <scene name='initialview01'>2d1j</scene>, resolution 2.20&Aring;
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The line below this paragraph, containing "STRUCTURE_2d1j", 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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=D01:2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE+4-OXIDE'>D01</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_2d1j| PDB=2d1j | SCENE= }}
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|RELATEDENTRY=[[1wu1|1WU1]], [[1v3x|1V3X]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2d1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2d1j OCA], [http://www.ebi.ac.uk/pdbsum/2d1j PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2d1j RCSB]</span>
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}}
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'''Factor Xa in complex with the inhibitor 2-[[4-[(5-chloroindol-2-yl)sulfonyl]piperazin-1-yl] carbonyl]thieno[3,2-b]pyridine n-oxide'''
'''Factor Xa in complex with the inhibitor 2-[[4-[(5-chloroindol-2-yl)sulfonyl]piperazin-1-yl] carbonyl]thieno[3,2-b]pyridine n-oxide'''
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[[Category: Protein complex]]
[[Category: Protein complex]]
[[Category: Suzuki, M.]]
[[Category: Suzuki, M.]]
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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 Sat May 3 23:31:06 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:29:02 2008''
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Revision as of 20:31, 3 May 2008

Image:2d1j.gif

Template:STRUCTURE 2d1j

Factor Xa in complex with the inhibitor 2-[[4-[(5-chloroindol-2-yl)sulfonyl]piperazin-1-yl] carbonyl]thieno[3,2-b]pyridine n-oxide


Overview

Compound 7 was identified as the active metabolite of 6 by HPLC and mass spectral analysis. Modification of lead compound 7 by transformation of its N-oxide 6-6 biaryl ring system and fused aromatics produced a series of non-basic fXa inhibitors with excellent potency in anti-fXa and anticoagulant assays. The optimized compounds 73b and 75b showed sub to one digit micromolar anticoagulant activity (PTCT2). Particularly, anti-fXa activity was detected in plasma of rats orally administered with 1mg/kg of compound 75b.

About this Structure

2D1J is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites., Komoriya S, Haginoya N, Kobayashi S, Nagata T, Mochizuki A, Suzuki M, Yoshino T, Horino H, Nagahara T, Suzuki M, Isobe Y, Furugoori T, Bioorg Med Chem. 2005 Jun 2;13(12):3927-54. PMID:15911309 Page seeded by OCA on Sat May 3 23:31:06 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

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