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TitleDiscovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC theta inhibitors.
Journal, issue, pagesBioorg. Med. Chem., Vol. 24, Page 2466-2475, Year 2016
Publish dateDec 9, 2015 (structure data deposition date)
AuthorsKatoh, T. / Takai, T. / Yukawa, T. / Tsukamoto, T. / Watanabe, E. / Mototani, H. / Arita, T. / Hayashi, H. / Nakagawa, H. / Klein, M.G. ...Katoh, T. / Takai, T. / Yukawa, T. / Tsukamoto, T. / Watanabe, E. / Mototani, H. / Arita, T. / Hayashi, H. / Nakagawa, H. / Klein, M.G. / Zou, H. / Sang, B.C. / Snell, G. / Nakada, Y.
External linksBioorg. Med. Chem. / PubMed:27117263
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-5f9e:
Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-5VS:
2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / kinase / inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex

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