7JOC
Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantanecarboxamide
Summary for 7JOC
Entry DOI | 10.2210/pdb7joc/pdb |
Descriptor | Carbonic anhydrase 2, ZINC ION, (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, ... (5 entities in total) |
Functional Keywords | carbonic anhydrase, ca inhibitor, structure guided drug design, carbonic anhydrase ii, carbonic anhydrase ix, caii, caix, sulfonamide, lyase, lyase-inhibitor complex, lyase/inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 29700.83 |
Authors | Andring, J.T.,McKenna, R. (deposition date: 2020-08-06, release date: 2020-11-04, Last modification date: 2023-10-18) |
Primary citation | Andring, J.T.,Fouch, M.,Akocak, S.,Angeli, A.,Supuran, C.T.,Ilies, M.A.,McKenna, R. Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63:13064-13075, 2020 Cited by PubMed: 33085484DOI: 10.1021/acs.jmedchem.0c01390 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.385 Å) |
Structure validation
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