2qd9: Difference between revisions

Revision as of 14:45, 4 May 2008

P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds

OverviewOverview

The synthesis and structure-activity relationships (SAR) of p38alpha MAP kinase inhibitors based on heterobicyclic scaffolds are described. This effort led to the identification of compound (21) as a potent inhibitor of p38alpha MAP kinase with good cellular potency toward the inhibition of TNF-alpha production. X-ray co-crystallography of an oxalamide analog (24) bound to unphosphorylated p38alpha is also disclosed.

About this StructureAbout this Structure

2QD9 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Synthesis and SAR of p38alpha MAP kinase inhibitors based on heterobicyclic scaffolds., Murali Dhar TG, Wrobleski ST, Lin S, Furch JA, Nirschl DS, Fan Y, Todderud G, Pitt S, Doweyko AM, Sack JS, Mathur A, McKinnon M, Barrish JC, Dodd JH, Schieven GL, Leftheris K, Bioorg Med Chem Lett. 2007 Sep 15;17(18):5019-24. Epub 2007 Jul 21. PMID:17664068 Page seeded by OCA on Sun May 4 14:45:56 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
 [[Image:2qd9.jpg|left|200px]]
- {{Structure
+<!--
-|PDB= 2qd9 |SIZE=350|CAPTION= <scene name='initialview01'>2qd9</scene>, resolution 1.70&Aring;
+The line below this paragraph, containing "STRUCTURE_2qd9", creates the "Structure Box" on the page.
-|SITE= <scene name='pdbsite=AC1:Lgf+Binding+Site+For+Residue+A+361'>AC1</scene>
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=LGF:1-[(3AR)-5-{[3-(2,4-DIFLUOROPHENYL)-5,6-DIHYDROIMIDAZO[1,5-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-METHOXY-3AH-PYRROLO[2,3-B]PYRIDIN-3-YL]-2-[(3R)-3-HYDROXYPYRROLIDIN-1-YL]-2-OXOETHANONE'>LGF</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Mitogen-activated_protein_kinase Mitogen-activated protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.24 2.7.11.24] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE= MAPK14, CSBP, CSBP1, CSBP2, CSPB1, MXI2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+-->
-|DOMAIN=
+{{STRUCTURE_2qd9|  PDB=2qd9  |  SCENE=  }}
-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2qd9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qd9 OCA], [http://www.ebi.ac.uk/pdbsum/2qd9 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2qd9 RCSB]</span>
-}}
 '''P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds'''
@@ Line 27: / Line 24: @@
 [[Category: Single protein]]
 [[Category: Sack, J S.]]
-[[Category: kinase]]
+[[Category: Kinase]]
-[[Category: p38 map kinase]]
+[[Category: P38 map kinase]]
-[[Category: serine/threonine-protein kinase]]
+[[Category: Serine/threonine-protein kinase]]
-[[Category: transferase]]
+[[Category: Transferase]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 14:45:56 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:47:54 2008''