2d1j

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[[Image:2d1j.gif|left|200px]]
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{{STRUCTURE_2d1j| PDB=2d1j | SCENE= }}
{{STRUCTURE_2d1j| PDB=2d1j | SCENE= }}
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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'''
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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===
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==Overview==
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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.
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The line below this paragraph, {{ABSTRACT_PUBMED_15911309}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 15911309 is the PubMed ID number.
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{{ABSTRACT_PUBMED_15911309}}
==About this Structure==
==About this Structure==
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==Reference==
==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:[http://www.ncbi.nlm.nih.gov/pubmed/15911309 15911309]
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:[http://www.ncbi.nlm.nih.gov/pubmed/15911309 15911309]
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Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element., Haginoya N, Kobayashi S, Komoriya S, Yoshino T, Suzuki M, Shimada T, Watanabe K, Hirokawa Y, Furugori T, Nagahara T, J Med Chem. 2004 Oct 7;47(21):5167-82. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15456260 15456260]
[[Category: Coagulation factor Xa]]
[[Category: Coagulation factor Xa]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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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 Sat May 3 23:31:06 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 04:13:42 2008''

Revision as of 01:13, 29 July 2008

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

Template:ABSTRACT PUBMED 15911309

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

Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element., Haginoya N, Kobayashi S, Komoriya S, Yoshino T, Suzuki M, Shimada T, Watanabe K, Hirokawa Y, Furugori T, Nagahara T, J Med Chem. 2004 Oct 7;47(21):5167-82. PMID:15456260

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