4urk: Difference between revisions

Line 1:

'''~~Unreleased~~ structure'''

==PI3Kg in complex with AZD6482==

== 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>

== 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.

~~The entry 4urk is ON HOLD until Paper Publication~~

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>

~~Authors: Giordanetto~~, F., Barlaam, B., Berglund, S., Edman, K., Karlsson, O., Lindberg, J., Nylander, S.~~, Inghardt, T.~~

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>

</div>

~~Description~~: ~~PI3Kg in complex with AZD6482~~

== 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]]

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@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
+==PI3Kg in complex with AZD6482==
+<StructureSection load='4urk' size='340' side='right' caption='[[4urk]], [[Resolution|resolution]] 2.90&Aring;' 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.
-The entry 4urk is ON HOLD  until Paper Publication
+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>
-Authors: Giordanetto, F., Barlaam, B., Berglund, S., Edman, K., Karlsson, O., Lindberg, J., Nylander, S., Inghardt, T.
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-Description: PI3Kg in complex with AZD6482
+== 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]]