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Structure paper

TitleDesign and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 7797-, Year 2011
Publish dateMay 16, 2011 (structure data deposition date)
AuthorsMillan, D.S. / Bunnage, M.E. / Burrows, J.L. / Butcher, K.J. / Dodd, P.G. / Evans, T.J. / Fairman, D.A. / Hughes, S.J. / Kilty, I.C. / Lemaitre, A. ...Millan, D.S. / Bunnage, M.E. / Burrows, J.L. / Butcher, K.J. / Dodd, P.G. / Evans, T.J. / Fairman, D.A. / Hughes, S.J. / Kilty, I.C. / Lemaitre, A. / Lewthwaite, R.A. / Mahnke, A. / Mathias, J.P. / Philip, J. / Smith, R.T. / Stefaniak, M.H. / Yeadon, M. / Phillips, C.
External linksJ. Med. Chem. / PubMed:21888439
MethodsX-ray diffraction
Resolution2 - 2.3 Å
Structure data

PDB-2yis:
triazolopyridine inhibitors of p38 kinase.
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2yiw:
triazolopyridine inhibitors of p38 kinase
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2yix:
Triazolopyridine Inhibitors of p38
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-YIS:
1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea

ChemComp-I46:
2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine

ChemComp-HOH:
WATER

ChemComp-YIW:
1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea

ChemComp-YIX:
1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / INHIBITOR SBDD KINASE / CELL CYCLE / PHOSPHORYLATION / SERINE/THREONINE-PROTEIN KINASE

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