2ei6

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[[Image:2ei6.jpg|left|200px]]
[[Image:2ei6.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2ei6 |SIZE=350|CAPTION= <scene name='initialview01'>2ei6</scene>, resolution 2.30&Aring;
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The line below this paragraph, containing "STRUCTURE_2ei6", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:Ca+Binding+Site+For+Residue+A+261'>AC1</scene>, <scene name='pdbsite=AC2:Ca+Binding+Site+For+Residue+A+262'>AC2</scene> and <scene name='pdbsite=AC3:D92+Binding+Site+For+Residue+A+700'>AC3</scene>
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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=D92:N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE'>D92</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_2ei6| PDB=2ei6 | SCENE= }}
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|RELATEDENTRY=[[2ei7|2EI7]], [[2ei8|2EI8]], [[1v3x|1v3x]], [[1wu1|1wu1]], [[2d1j|2d1j]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ei6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ei6 OCA], [http://www.ebi.ac.uk/pdbsum/2ei6 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2ei6 RCSB]</span>
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}}
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'''FACTOR XA IN COMPLEX WITH THE INHIBITOR (-)-cis-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine'''
'''FACTOR XA IN COMPLEX WITH THE INHIBITOR (-)-cis-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine'''
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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 Sun May 4 02:35:16 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:49:29 2008''
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Revision as of 23:35, 3 May 2008

Image:2ei6.jpg

Template:STRUCTURE 2ei6

FACTOR XA IN COMPLEX WITH THE INHIBITOR (-)-cis-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine


Overview

This paper describes the synthesis of orally available potent fXa inhibitors 2 and 3 by modification of the piperazine part of lead compound 1. Carbonyl derivative 3 showed potent fXa activity but not sulfonyl derivative 2. Among the compounds synthesized, cyclohexane derivatives 3g and 3h and cycloheptane derivative 3j had potent anticoagulant activity as well as anti-fXa activity. Synthetic study of the optical isomers of 3g demonstrated that (-)-3g had more potent activity.

About this Structure

2EI6 is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Cycloalkanediamine derivatives as novel blood coagulation factor Xa inhibitors., Nagata T, Yoshino T, Haginoya N, Yoshikawa K, Isobe Y, Furugohri T, Kanno H, Bioorg Med Chem Lett. 2007 Aug 15;17(16):4683-8. Epub 2007 May 25. PMID:17555959 Page seeded by OCA on Sun May 4 02:35:16 2008

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OCA

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