6E91
CA IX mimic Complexed with Steroidal Sulfamate Compound STX 2484
Summary for 6E91
| Entry DOI | 10.2210/pdb6e91/pdb |
| Descriptor | Carbonic anhydrase 2, ZINC ION, 7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium, ... (4 entities in total) |
| Functional Keywords | carbonic anhydrase steroid sulfamate cancer, lyase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 29345.35 |
| Authors | Andring, J.T.,Mckenna, R. (deposition date: 2018-07-31, release date: 2019-03-27, Last modification date: 2023-10-11) |
| Primary citation | Andring, J.T.,Dohle, W.,Tu, C.,Potter, B.V.L.,McKenna, R. 3,17 beta-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene and Nonsteroidal Sulfamate Derivatives Inhibit Carbonic Anhydrase IX: Structure-Activity Optimization for Isoform Selectivity. J. Med. Chem., 62:2202-2212, 2019 Cited by PubMed: 30721041DOI: 10.1021/acs.jmedchem.8b01990 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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