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TitleDibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 241-253, Year 2013
Publish dateNov 30, 2011 (structure data deposition date)
AuthorsFischer, S. / Wentsch, H.K. / Mayer-Wrangowski, S.C. / Zimmermann, M. / Bauer, S.M. / Storch, K. / Niess, R. / Koeberle, S.C. / Grutter, C. / Boeckler, F.M. ...Fischer, S. / Wentsch, H.K. / Mayer-Wrangowski, S.C. / Zimmermann, M. / Bauer, S.M. / Storch, K. / Niess, R. / Koeberle, S.C. / Grutter, C. / Boeckler, F.M. / Rauh, D. / Laufer, S.A.
External linksJ. Med. Chem. / PubMed:23270382
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-3uvq:
Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-FS8:
N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide

ChemComp-BOG:
octyl beta-D-glucopyranoside / detergent*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / selective p38 inhibitor / SAR / dibenzosuberone derivative / protein kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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