6YPW

Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide

Summary for 6YPW

• Entry DOI: 10.2210/pdb6ypw/pdb
• Descriptor: Carbonic anhydrase 2, ZINC ION, 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide, ... (4 entities in total)
• Functional Keywords: carbonic anhydrase inhibitors; azt; telomerase inhibitors; cancer; molecular hybrids; click chemistry; triazole., lyase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 29832.95

Authors

Angeli, A.,Ferraroni, M. (deposition date: 2020-04-16, release date: 2021-04-28, Last modification date: 2024-01-31)

• Primary citation: Plyasova, A.A.,Berrino, E.,Khan, I.I.,Veselovsky, A.V.,Pokrovsky, V.S.,Angeli, A.,Ferraroni, M.,Supuran, C.T.,Pokrovskaya, M.V.,Alexandrova, S.S.,Gladilina, Y.A.,Sokolov, N.N.,Hilal, A.,Carta, F.,Zhdanov, D.D.; Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors.; J.Med.Chem., 64:11432-11444, 2021; PubMed: 34283610; DOI: 10.1021/acs.jmedchem.1c00756

Experimental method

X-RAY DIFFRACTION (1.1 Å)