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TitleDevelopment of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 3510-3513, Year 2006
Publish dateMar 27, 2006 (structure data deposition date)
AuthorsBrugel, T.A. / Maier, J.A. / Clark, M.P. / Sabat, M. / Golebiowski, A. / Bookland, R.G. / Laufersweiler, M.J. / Laughlin, S.K. / Vanrens, J.C. / De, B. ...Brugel, T.A. / Maier, J.A. / Clark, M.P. / Sabat, M. / Golebiowski, A. / Bookland, R.G. / Laufersweiler, M.J. / Laughlin, S.K. / Vanrens, J.C. / De, B. / Hsieh, L.C. / Mekel, M.J. / Janusz, M.J.
External linksBioorg. Med. Chem. Lett. / PubMed:16632356
MethodsX-ray diffraction
Resolution2.099 - 2.35 Å
Structure data

PDB-2ghl:
Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743
Method: X-RAY DIFFRACTION / Resolution: 2.099 Å

PDB-2ghm:
Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

Chemicals

ChemComp-LIB:
3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA

ChemComp-HOH:
WATER

ChemComp-LIC:
3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE / MAP Kinase P38 / P38

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