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TitleDiscovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 6368-6377, Year 2010
Publish dateJul 27, 2010 (structure data deposition date)
AuthorsCee, V.J. / Schenkel, L.B. / Hodous, B.L. / Deak, H.L. / Nguyen, H.N. / Olivieri, P.R. / Romero, K. / Bak, A. / Be, X. / Bellon, S. ...Cee, V.J. / Schenkel, L.B. / Hodous, B.L. / Deak, H.L. / Nguyen, H.N. / Olivieri, P.R. / Romero, K. / Bak, A. / Be, X. / Bellon, S. / Bush, T.L. / Cheng, A.C. / Chung, G. / Coats, S. / Eden, P.M. / Hanestad, K. / Gallant, P.L. / Gu, Y. / Huang, X. / Kendall, R.L. / Lin, M.H. / Morrison, M.J. / Patel, V.F. / Radinsky, R. / Rose, P.E. / Ross, S. / Sun, J.R. / Tang, J. / Zhao, H. / Payton, M. / Geuns-Meyer, S.D.
External linksJ. Med. Chem. / PubMed:20684549
MethodsX-ray diffraction
Resolution2 - 3.2 Å
Structure data

PDB-3o50:
Crystal structure of benzamide 9 bound to AuroraA
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3o51:
Crystal structure of anthranilamide 10 bound to AuroraA
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

ChemComp-LJE:
N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide

ChemComp-HOH:
WATER

ChemComp-LJF:
N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / AuroraA / kinase domain

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