1m7q

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[[Image:1m7q.jpg|left|200px]]
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{{Structure
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The line below this paragraph, containing "STRUCTURE_1m7q", creates the "Structure Box" on the page.
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|LIGAND= <scene name='pdbligand=DQO:1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE'>DQO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
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{{STRUCTURE_1m7q| PDB=1m7q | SCENE= }}
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1m7q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1m7q OCA], [http://www.ebi.ac.uk/pdbsum/1m7q PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1m7q RCSB]</span>
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'''Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor'''
'''Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor'''
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[[Category: Wang, Z.]]
[[Category: Wang, Z.]]
[[Category: Zaller, D M.]]
[[Category: Zaller, D M.]]
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[[Category: atp-binding domain]]
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[[Category: Atp-binding domain]]
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[[Category: inhibitor]]
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[[Category: Inhibitor]]
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[[Category: serine/threonine kinase]]
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[[Category: Serine/threonine kinase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 22:12:31 2008''
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Revision as of 21:44, 2 May 2008

Image:1m7q.jpg

Template:STRUCTURE 1m7q

Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor


Overview

The development of potent, orally bioavailable (in rat) and selective dihydroquinazolinone inhibitors of p38alpha MAP kinase is described. These analogues are hybrids of a pyridinylimidazole p38alpha inhibitor reported by Merck Research Laboratories and VX-745. Optimization of the C-5 phenyl and the C-7 piperidinyl substituents led to the identification of 15i which gave excellent suppression of TNF-alpha production in LPS-stimulated whole blood (IC(50)=10nM) and good oral exposure in rats (F=68%, AUCn PO=0.58 microM h).

About this Structure

1M7Q is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase., Stelmach JE, Liu L, Patel SB, Pivnichny JV, Scapin G, Singh S, Hop CE, Wang Z, Strauss JR, Cameron PM, Nichols EA, O'Keefe SJ, O'Neill EA, Schmatz DM, Schwartz CD, Thompson CM, Zaller DM, Doherty JB, Bioorg Med Chem Lett. 2003 Jan 20;13(2):277-80. PMID:12482439 Page seeded by OCA on Sat May 3 00:44:15 2008

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