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TitleSubstituted N-aryl-6-pyrimidinones: A new class of potent, selective, and orally active p38 MAP kinase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 3856-3860, Year 2011
Publish dateApr 25, 2011 (structure data deposition date)
AuthorsDevadas, B. / Selness, S.R. / Xing, L. / Madsen, H.M. / Marrufo, L.D. / Shieh, H. / Messing, D.M. / Yang, J.Z. / Morgan, H.M. / Anderson, G.D. ...Devadas, B. / Selness, S.R. / Xing, L. / Madsen, H.M. / Marrufo, L.D. / Shieh, H. / Messing, D.M. / Yang, J.Z. / Morgan, H.M. / Anderson, G.D. / Webb, E.G. / Zhang, J. / Devraj, R.V. / Monahan, J.B.
External linksBioorg. Med. Chem. Lett. / PubMed:21620699
MethodsX-ray diffraction
Resolution1.7 Å
Structure data

PDB-3roc:
Crystal structure of human p38 alpha complexed with a pyrimidinone compound
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-29A:
3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6H)-yl}-N-(2-hydroxyethyl)-4-methylbenzamide

ChemComp-29B:
4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / Transferase / Transferase-Transferase Inhibitor complex

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