2feq
From Proteopedia
(New page: 200px<br /> <applet load="2feq" size="450" color="white" frame="true" align="right" spinBox="true" caption="2feq, resolution 2.44Å" /> '''orally active throm...) |
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caption="2feq, resolution 2.44Å" /> | caption="2feq, resolution 2.44Å" /> | ||
'''orally active thrombin inhibitors'''<br /> | '''orally active thrombin inhibitors'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2FEQ 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 34P as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http:// | + | 2FEQ 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=34P:'>34P</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FEQ OCA]. |
==Reference== | ==Reference== | ||
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[[Category: thrombin inhibitor]] | [[Category: thrombin inhibitor]] | ||
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Revision as of 15:25, 15 February 2008
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orally active thrombin inhibitors
Contents |
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.
Disease
Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]
About this Structure
2FEQ is a Protein complex structure of sequences from Homo sapiens with as ligand. Active as Thrombin, with EC number 3.4.21.5 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
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