4K4E
Co-crystal structure of tnks1 with compound 52 [N~2-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide]
Summary for 4K4E
Entry DOI | 10.2210/pdb4k4e/pdb |
Related | 4DVI 4K4F |
Descriptor | Tankyrase-1, ZINC ION, N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide, ... (4 entities in total) |
Functional Keywords | parp, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Cytoplasm: O95271 |
Total number of polymer chains | 2 |
Total formula weight | 51071.31 |
Authors | Huang, X. (deposition date: 2013-04-12, release date: 2013-06-05, Last modification date: 2024-02-28) |
Primary citation | Bregman, H.,Chakka, N.,Guzman-Perez, A.,Gunaydin, H.,Gu, Y.,Huang, X.,Berry, V.,Liu, J.,Teffera, Y.,Huang, L.,Egge, B.,Mullady, E.L.,Schneider, S.,Andrews, P.S.,Mishra, A.,Newcomb, J.,Serafino, R.,Strathdee, C.A.,Turci, S.M.,Wilson, C.,Dimauro, E.F. Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56:4320-4342, 2013 Cited by PubMed: 23701517DOI: 10.1021/jm4000038 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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