4YND
The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2
Summary for 4YND
Entry DOI | 10.2210/pdb4ynd/pdb |
Descriptor | N-lysine methyltransferase SMYD2, ZINC ION, N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, ... (5 entities in total) |
Functional Keywords | epigenetics, smyd2, h3k36, p53, methyltransferase, lysine, transferase-inhibitor complex, transferase/inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm, cytosol : Q9NRG4 |
Total number of polymer chains | 1 |
Total formula weight | 54378.00 |
Authors | Sweis, R.F.,Wang, Z.,Algire, M.,Arrowsmith, C.H.,Brown, P.J.,Chiang, G.C.,Guo, J.,Jakob, C.G.,Kennedy, S.,Li, F.,Soni, N.B.,Vedadi, M.,Pappano, W.N. (deposition date: 2015-03-09, release date: 2015-05-20, Last modification date: 2023-09-27) |
Primary citation | Sweis, R.F.,Wang, Z.,Algire, M.,Arrowsmith, C.H.,Brown, P.J.,Chiang, G.G.,Guo, J.,Jakob, C.G.,Kennedy, S.,Li, F.,Maag, D.,Shaw, B.,Soni, N.B.,Vedadi, M.,Pappano, W.N. Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2. Acs Med.Chem.Lett., 6:695-700, 2015 Cited by PubMed: 26101576DOI: 10.1021/acsmedchemlett.5b00124 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.79 Å) |
Structure validation
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