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6EBE

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 6EBE
Entry DOI10.2210/pdb6ebe/pdb
DescriptorCarbonic anhydrase 2, ZINC ION, 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, ... (4 entities in total)
Functional Keywordshypoxia, carbonic anhydrase ix, carbonic anhydrase xii, inhibition, anti-proliferative., lyase-lyase inhibitor complex, lyase/lyase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight29418.37
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: 2018-08-06, release date: 2018-11-28, Last modification date: 2023-10-11)
Primary citationNocentini, 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
Cited by
PubMed: 30433782
DOI: 10.1021/acs.jmedchem.8b01504
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.88 Å)
Structure validation

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