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TitleDiscovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6- methoxyphenyl)methanone (R547), a potent and selective cyclin-dependent kinase inhibitor with significant in vivo antitumor activity.
Journal, issue, pagesJ. Med. Chem., Vol. 49, Page 6549-6560, Year 2006
Publish dateJan 30, 2006 (structure data deposition date)
AuthorsChu, X.J. / DePinto, W. / Bartkovitz, D. / So, S.S. / Vu, B.T. / Packman, K. / Lukacs, C. / Ding, Q. / Jiang, N. / Wang, K. ...Chu, X.J. / DePinto, W. / Bartkovitz, D. / So, S.S. / Vu, B.T. / Packman, K. / Lukacs, C. / Ding, Q. / Jiang, N. / Wang, K. / Goelzer, P. / Yin, X. / Smith, M.A. / Higgins, B.X. / Chen, Y. / Xiang, Q. / Moliterni, J. / Kaplan, G. / Graves, B. / Lovey, A. / Fotouhi, N.
External linksJ. Med. Chem. / PubMed:17064073
MethodsX-ray diffraction
Resolution1.85 Å
Structure data

PDB-2fvd:
Cyclin Dependent Kinase 2 (CDK2) with diaminopyrimidine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-LIA:
(4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / CDK2 ligand

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