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; PubMed: 23701517; DOI: 10.1021/jm4000038

Experimental method

X-RAY DIFFRACTION (2.3 Å)