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TitleDiscovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
Journal, issue, pagesJ. Med. Chem., Vol. 51, Page 6271-6279, Year 2008
Publish dateJul 11, 2008 (structure data deposition date)
AuthorsHerberich, B. / Cao, G.Q. / Chakrabarti, P.P. / Falsey, J.R. / Pettus, L. / Rzasa, R.M. / Reed, A.B. / Reichelt, A. / Sham, K. / Thaman, M. ...Herberich, B. / Cao, G.Q. / Chakrabarti, P.P. / Falsey, J.R. / Pettus, L. / Rzasa, R.M. / Reed, A.B. / Reichelt, A. / Sham, K. / Thaman, M. / Wurz, R.P. / Xu, S. / Zhang, D. / Hsieh, F. / Lee, M.R. / Syed, R. / Li, V. / Grosfeld, D. / Plant, M.H. / Henkle, B. / Sherman, L. / Middleton, S. / Wong, L.M. / Tasker, A.S.
External linksJ. Med. Chem. / PubMed:18817365
MethodsX-ray diffraction
Resolution2.8 - 2.9 Å
Structure data

PDB-3ds6:
P38 complex with a phthalazine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-3dt1:
P38 Complexed with a quinazoline inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-A17:
N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide

ChemComp-P40:
N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Kinase inhibitor complex / Alternative splicing / ATP-binding / Cytoplasm / Kinase / Nucleotide-binding / Nucleus / Phosphoprotein / Polymorphism / Serine/threonine-protein kinase

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