Ligand name: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
PDB ligand accession: DKI
DrugBank: DB07664
PubChem: 5330812
ChEMBL: CHEMBL261720
InChI Key: ARIOBGGRZJITQX-UHFFFAOYSA-N
SMILES: c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzenesulfonamides

List of proteins that are targets for DKI

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	Q16566_DKI	Q16566	Calcium/calmodulin-dependent protein kinase	n/a
2	P32361_DKI	P32361	Serine/threonine-protein kinase/endoribonuclease IRE1	n/a
3	Q9Y6M4_DKI	Q9Y6M4	Casein kinase I	n/a
4	Q92772_DKI	Q92772	Cyclin-dependent kinase-like 2	n/a
5	Q9Y6E0_DKI	Q9Y6E0	Serine/threonine-protein kinase 24	n/a
6	P42684_DKI	P42684	Tyrosine-protein kinase ABL2	n/a
7	Q9P289_DKI	Q9P289	Serine/threonine-protein kinase 26	n/a
8	Q9H2G2_DKI	Q9H2G2	STE20-like serine/threonine-protein kinase	n/a
9	P49761_DKI	P49761	Dual specificity protein	n/a	IC50(nM) = 29.0