2feq

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[[Image:2feq.gif|left|200px]]
[[Image:2feq.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2feq |SIZE=350|CAPTION= <scene name='initialview01'>2feq</scene>, resolution 2.44&Aring;
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The line below this paragraph, containing "STRUCTURE_2feq", 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=34P:N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE'>34P</scene>, <scene name='pdbligand=ALC:2-AMINO-3-CYCLOHEXYL-PROPIONIC+ACID'>ALC</scene>, <scene name='pdbligand=HYP:4-HYDROXYPROLINE'>HYP</scene>, <scene name='pdbligand=SIN:SUCCINIC+ACID'>SIN</scene>, <scene name='pdbligand=SMF:4-SULFOMETHYL-L-PHENYLALANINE'>SMF</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/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] </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_2feq| PDB=2feq | SCENE= }}
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|RELATEDENTRY=[[1o0d|1O0D]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2feq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2feq OCA], [http://www.ebi.ac.uk/pdbsum/2feq PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2feq RCSB]</span>
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}}
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'''orally active thrombin inhibitors'''
'''orally active thrombin inhibitors'''
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[[Category: Lange, U E.W.]]
[[Category: Lange, U E.W.]]
[[Category: Mack, H.]]
[[Category: Mack, H.]]
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[[Category: thrombin inhibitor]]
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[[Category: Thrombin inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 03:48:37 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:01:51 2008''
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Revision as of 00:48, 4 May 2008

Image:2feq.gif

Template:STRUCTURE 2feq

orally active thrombin inhibitors


Overview

The synthesis and SAR of novel nanomolar thrombin inhibitors with the common backbone HOOC-CH(2)-d-cyclohexylalanyl-3,4-dehydroprolyl-NH-CH(2)-aryl-C(=NH)NH(2) are described together with their ecarin clotting time (ECT) prolongation as measure for thrombin inhibition ex vivo. The aryl P1-moiety mimicking the arginine part of the d-Phe-Pro-Arg derived thrombin inhibitors turned out to be a key component for in vitro potency and in vivo activity. Optimization of this part led to compounds with improved antithrombin activity in rats and dogs after oral administration compared to the recently launched anticoagulant melagatran.

About this Structure

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

Reference

Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety., Mack H, Baucke D, Hornberger W, Lange UE, Seitz W, Hoffken HW, Bioorg Med Chem Lett. 2006 May 15;16(10):2641-7. Epub 2006 Mar 6. PMID:16517159 Page seeded by OCA on Sun May 4 03:48:37 2008

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OCA

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