6IC2

Polypharmacology of Epacadostat: a Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII

Summary for 6IC2

Entry DOI	10.2210/pdb6ic2/pdb
Descriptor	Carbonic anhydrase 2, ZINC ION, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, ... (4 entities in total)
Functional Keywords	inhibitor, carbonic anhydrase ii, ligase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	29792.70
Authors	Angeli, A.,Ferraroni, M.,Supuran, C.T.,Carta, F. (deposition date: 2018-12-01, release date: 2019-05-15, Last modification date: 2019-05-22)
Primary citation	Angeli, A.,Ferraroni, M.,Nocentini, A.,Selleri, S.,Gratteri, P.,Supuran, C.T.,Carta, F. Polypharmacology of epacadostat: a potent and selective inhibitor of the tumor associated carbonic anhydrases IX and XII. Chem.Commun.(Camb.), 55:5720-5723, 2019 Cited by PubMed: 31038135 DOI: 10.1039/c8cc09568j PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.15 Å)

Structure validation