1m7q
From Proteopedia
(New page: 200px<br /> <applet load="1m7q" size="450" color="white" frame="true" align="right" spinBox="true" caption="1m7q, resolution 2.4Å" /> '''Crystal structure of...) |
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| - | [[Image:1m7q. | + | [[Image:1m7q.jpg|left|200px]]<br /><applet load="1m7q" size="350" color="white" frame="true" align="right" spinBox="true" |
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caption="1m7q, resolution 2.4Å" /> | caption="1m7q, resolution 2.4Å" /> | ||
'''Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor'''<br /> | '''Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1M7Q is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with SO4 and DQO as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http:// | + | 1M7Q is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=SO4:'>SO4</scene> and <scene name='pdbligand=DQO:'>DQO</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1M7Q OCA]. |
==Reference== | ==Reference== | ||
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[[Category: serine/threonine kinase]] | [[Category: serine/threonine kinase]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 16:22:35 2008'' |
Revision as of 14:22, 15 February 2008
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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 with and as ligands. 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 Fri Feb 15 16:22:35 2008
Categories: Homo sapiens | Single protein | Cameron, P.M. | Doherty, J.B | Hop, C.E.C.A. | Keefe, S.J.O. | Liu, L. | Neill, E.A.O. | Nichols, E.A. | Patel, S.B. | Pivnichny, J.V. | Scapin, G. | Schmatz, D.M. | Schwartz, C.D. | Singh, S. | Stelmach, J.E. | Thompson, C.M. | Wang, Z. | Zaller, D.M. | DQO | SO4 | Atp-binding domain | Inhibitor | Serine/threonine kinase
