4urk: Difference between revisions
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''' | ==PI3Kg in complex with AZD6482== | ||
<StructureSection load='4urk' size='340' side='right' caption='[[4urk]], [[Resolution|resolution]] 2.90Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[4urk]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4URK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4URK FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A82:2-[[(1R)-1-(7-METHYL-2-MORPHOLIN-4-YL-4-OXIDANYLIDENE-PYRIDO[1,2-A]PYRIMIDIN-9-YL)ETHYL]AMINO]BENZOIC+ACID'>A82</scene></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4urk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4urk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4urk RCSB], [http://www.ebi.ac.uk/pdbsum/4urk PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Optimization of AZD6482 (2), the first antiplatelet PI3Kbeta inhibitor evaluated in man, focused on improving the pharmacokinetic profile to a level compatible with once daily oral dosing as well as achieving adequate selectivity towards PI3Kalpha to minimize the risk for insulin resistance. Structure-based design and optimization of DMPK properties resulted in (R)-16, a novel, orally bioavailable PI3Kbeta inhibitor with potent in vivo anti-thrombotic effect with excellent separation to bleeding risk and insulin resistance. | |||
Discovery of 9-(1-phenoxyethyl)-2-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxamides as oral PI3Kbeta inhibitors, useful as antiplatelet agents.,Giordanetto F, Barlaam B, Berglund S, Edman K, Karlsson O, Lindberg J, Nylander S, Inghardt T Bioorg Med Chem Lett. 2014 Aug 15;24(16):3936-43. doi:, 10.1016/j.bmcl.2014.07.007. Epub 2014 Jul 9. PMID:25042253<ref>PMID:25042253</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Homo sapiens]] | |||
[[Category: Barlaam, B.]] | |||
[[Category: Berglund, S.]] | |||
[[Category: Edman, K.]] | |||
[[Category: Giordanetto, F.]] | |||
[[Category: Inghardt, T.]] | |||
[[Category: Karlsson, O.]] | |||
[[Category: Lindberg, J.]] | |||
[[Category: Nylander, S.]] | |||
[[Category: Lipid kinase]] | |||
[[Category: Transferase]] | |||
