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: 33085484 DOI: 10.1021/acs.jmedchem.0c01390 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.385 Å)

Structure validation