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TitleMetabolically Stable Dibenzo[b,e]oxepin-11(6H)-ones as Highly Selective p38 MAP Kinase Inhibitors: Optimizing Anti-Cytokine Activity in Human Whole Blood.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 8561-8578, Year 2013
Publish dateJun 17, 2013 (structure data deposition date)
AuthorsBaur, B. / Storch, K. / Martz, K.E. / Goettert, M.I. / Richters, A. / Rauh, D. / Laufer, S.A.
External linksJ. Med. Chem. / PubMed:24131218
MethodsX-ray diffraction
Resolution2.1 Å
Structure data

PDB-4l8m:
Human p38 MAP kinase in complex with a Dibenzoxepinone
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

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

ChemComp-F46:
N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordstransferase/transferase inhibitor / protein kinase / selective p38 inhibitor / SAR / Dibenzoxepinone derivative / Dibenzoxepinone / transferase-transferase inhibitor complex

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