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-Structure paper
Title | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. |
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Journal, issue, pages | J. Med. Chem., Vol. 63, Page 3461-3471, Year 2020 |
Publish date | Oct 9, 2019 (structure data deposition date) |
Authors | Goldberg, F.W. / Finlay, M.R.V. / Ting, A.K.T. / Beattie, D. / Lamont, G.M. / Fallan, C. / Wrigley, G.L. / Schimpl, M. / Howard, M.R. / Williamson, B. ...Goldberg, F.W. / Finlay, M.R.V. / Ting, A.K.T. / Beattie, D. / Lamont, G.M. / Fallan, C. / Wrigley, G.L. / Schimpl, M. / Howard, M.R. / Williamson, B. / Vazquez-Chantada, M. / Barratt, D.G. / Davies, B.R. / Cadogan, E.B. / Ramos-Montoya, A. / Dean, E. |
External links | J. Med. Chem. / PubMed:31851518 |
Methods | X-ray diffraction |
Resolution | 1.7 - 3.01 Å |
Structure data | PDB-6t2w: PDB-6t3b: PDB-6t3c: |
Chemicals | ChemComp-M9T: ChemComp-SO4: ChemComp-HOH: ChemComp-MBW: |
Source |
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Keywords | TRANSFERASE / kinase fold / type I kinase inhibitor / PI3 kinase / structure based drug design |