3P9J
Aurora A kinase domain with phthalazinone pyrazole inhibitor
Summary for 3P9J
| Entry DOI | 10.2210/pdb3p9j/pdb |
| Descriptor | Serine/threonine-protein kinase 6, 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one (3 entities in total) |
| Functional Keywords | phosphotransferase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 1 |
| Total formula weight | 31365.07 |
| Authors | Kairies, N.A.,Oliveira, T.,Engh, R.A. (deposition date: 2010-10-17, release date: 2011-03-23, Last modification date: 2024-02-21) |
| Primary citation | Prime, M.E.,Courtney, S.M.,Brookfield, F.A.,Marston, R.W.,Walker, V.,Warne, J.,Boyd, A.E.,Kairies, N.A.,von der Saal, W.,Limberg, A.,Georges, G.,Engh, R.A.,Goller, B.,Rueger, P.,Rueth, M. Phthalazinone pyrazoles as potent, selective, and orally bioavailable inhibitors of aurora-a kinase. J.Med.Chem., 54:312-319, 2011 Cited by PubMed Abstract: The inhibition of Aurora kinases in order to arrest mitosis and subsequently inhibit tumor growth via apoptosis of proliferating cells has generated significant discussion within the literature. We report a novel class of Aurora kinase inhibitors based upon a phthalazinone pyrazole scaffold. The development of the phthalazinone template resulted in a potent Aurora-A selective series of compounds (typically >1000-fold selectivity over Aurora-B) that display good pharmacological profiles with significantly improved oral bioavailability compared to the well studied Aurora inhibitor VX-680. PubMed: 21128645DOI: 10.1021/jm101346r PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
Download full validation report
