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TitleDiscovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 928-940, Year 2019
Publish dateSep 7, 2018 (structure data deposition date)
AuthorsNguyen, D. / Lemos, C. / Wortmann, L. / Eis, K. / Holton, S.J. / Boemer, U. / Moosmayer, D. / Eberspaecher, U. / Weiske, J. / Lechner, C. ...Nguyen, D. / Lemos, C. / Wortmann, L. / Eis, K. / Holton, S.J. / Boemer, U. / Moosmayer, D. / Eberspaecher, U. / Weiske, J. / Lechner, C. / Prechtl, S. / Suelzle, D. / Siegel, F. / Prinz, F. / Lesche, R. / Nicke, B. / Nowak-Reppel, K. / Himmel, H. / Mumberg, D. / von Nussbaum, F. / Nising, C.F. / Bauser, M. / Haegebarth, A.
External linksJ. Med. Chem. / PubMed:30563338
MethodsX-ray diffraction
Resolution2.33 - 2.47 Å
Structure data

PDB-6hkm:
Crystal structure of Compound 1 with ERK5
Method: X-RAY DIFFRACTION / Resolution: 2.47 Å

PDB-6hkn:
Crystal structure of Compound 35 with ERK5
Method: X-RAY DIFFRACTION / Resolution: 2.33 Å

Chemicals

ChemComp-G92:
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone

ChemComp-HOH:
WATER

ChemComp-G9E:
[2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / ERK5 KINASE / IMMUNE SYSTEM

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