2a2x

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Revision as of 21:39, 12 November 2007 by OCA (talk | contribs) (New page: left|200px<br /> <applet load="2a2x" size="450" color="white" frame="true" align="right" spinBox="true" caption="2a2x, resolution 2.440Å" /> '''Orally Active Thro...)
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File:2a2x.gif


2a2x, resolution 2.440Å

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Orally Active Thrombin Inhibitors in Complex with Thrombin Inh12

OverviewOverview

Synthesis and SAR of orally active thrombin inhibitors of the, d-Phe-Pro-Arg type with focus on the P2-moiety are described. The, unexpected increase in in vitro potency, oral bioavailability, and in vivo, activity of inhibitors with dehydroproline as P2-isostere is discussed., Over a period of 24h the antithrombin activity of the most active, inhibitors with IC(50)s in the nanomolar range was determined in dogs, demonstrating high thrombin inhibitory activity in plasma and an, appropriate duration of action after oral administration.

DiseaseDisease

Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]

About this StructureAbout this Structure

2A2X is a Protein complex structure of sequences from Homo sapiens with NA9 as ligand. Active as Thrombin, with EC number 3.4.21.5 Full crystallographic information is available from OCA.

ReferenceReference

Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety., Lange UE, Baucke D, Hornberger W, Mack H, Seitz W, Hoffken HW, Bioorg Med Chem Lett. 2006 May 15;16(10):2648-53. Epub 2006 Feb 3. PMID:16460939

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