6IC2

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Carbonic anhydrase 2	polymer	260	29289.1	1	UniProt (P00918) Pfam (PF00194) In PDB	Homo sapiens (Human)	Carbonate dehydratase II,Carbonic anhydrase C,CAC,Carbonic anhydrase II,CA-II
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide	non-polymer		438.2	1	Chemie (BBJ)
4		water	water		18.0	196	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	29289.1
Non-Polymers*	Number of molecules	2
	Total formula weight	503.6
All*	Total formula weight	29792.7

*Water molecules are not included.