2d1j
From Proteopedia
(New page: 200px<br /> <applet load="2d1j" size="450" color="white" frame="true" align="right" spinBox="true" caption="2d1j, resolution 2.20Å" /> '''Factor Xa in comple...) |
|||
| Line 1: | Line 1: | ||
| - | [[Image:2d1j.gif|left|200px]]<br /> | + | [[Image:2d1j.gif|left|200px]]<br /><applet load="2d1j" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="2d1j" size=" | + | |
caption="2d1j, resolution 2.20Å" /> | caption="2d1j, resolution 2.20Å" /> | ||
'''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'''<br /> | '''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'''<br /> | ||
| Line 11: | Line 10: | ||
==About this Structure== | ==About this Structure== | ||
| - | 2D1J is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with CA and D01 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http:// | + | 2D1J is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=CA:'>CA</scene> and <scene name='pdbligand=D01:'>D01</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2D1J OCA]. |
==Reference== | ==Reference== | ||
| Line 29: | Line 28: | ||
[[Category: serine protease]] | [[Category: serine protease]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 17:18:20 2008'' |
Revision as of 15:18, 15 February 2008
|
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
Contents |
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.
Disease
Known disease associated with this structure: Factor X deficiency OMIM:[227600]
About this Structure
2D1J is a Protein complex structure of sequences from Homo sapiens with and as ligands. Active as Coagulation factor Xa, with EC number 3.4.21.6 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 Fri Feb 15 17:18:20 2008
