6EEO

Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.

Summary for 6EEO

• Entry DOI: 10.2210/pdb6eeo/pdb
• Descriptor: Carbonic anhydrase 2, ZINC ION, 3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide, ... (4 entities in total)
• Functional Keywords: hypoxia, carbonic anhydrase ix, carbonic anhydrase xii, inhibition, anti-proliferative., lyase, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 29294.21

Authors

Singh, S.,McKenna, R.,Supuran, C.T.,Nocentini, A.,Lomelino, C.,Lucarini, E.,Bartolucci, G.,Mannelli, L.D.C.,Ghelardini, C.,Gratteri, P. (deposition date: 2018-08-15, release date: 2018-11-28, Last modification date: 2023-10-11)

• Primary citation: Nocentini, A.,Trallori, E.,Singh, S.,Lomelino, C.L.,Bartolucci, G.,Di Cesare Mannelli, L.,Ghelardini, C.,McKenna, R.,Gratteri, P.,Supuran, C.T.; 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.; J. Med. Chem., 61:10860-10874, 2018; PubMed: 30433782; DOI: 10.1021/acs.jmedchem.8b01504

Experimental method

X-RAY DIFFRACTION (1.719 Å)