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Structure paper

TitleSynthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 2739-2744, Year 2008
Publish dateJan 4, 2008 (structure data deposition date)
AuthorsWrobleski, S.T. / Lin, S. / Hynes, J. / Wu, H. / Pitt, S. / Shen, D.R. / Zhang, R. / Gillooly, K.M. / Shuster, D.J. / McIntyre, K.W. ...Wrobleski, S.T. / Lin, S. / Hynes, J. / Wu, H. / Pitt, S. / Shen, D.R. / Zhang, R. / Gillooly, K.M. / Shuster, D.J. / McIntyre, K.W. / Doweyko, A.M. / Kish, K.F. / Tredup, J.A. / Duke, G.J. / Sack, J.S. / McKinnon, M. / Dodd, J. / Barrish, J.C. / Schieven, G.L. / Leftheris, K.
External linksBioorg. Med. Chem. Lett. / PubMed:18364256
MethodsX-ray diffraction
Resolution2.4 - 2.59 Å
Structure data

PDB-3bv2:
Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-3bv3:
Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2
Method: X-RAY DIFFRACTION / Resolution: 2.59 Å

Chemicals

ChemComp-P38:
5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

ChemComp-HOH:
WATER

ChemComp-P39:
5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / SERINE/THREONINE-PROTEIN KINASE / KINASE / P38 MAP KINASE / Alternative splicing / ATP-binding / Cytoplasm / Nucleotide-binding / Nucleus / Phosphoprotein

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