Ligand name: N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
PDB ligand accession: 6ZV
DrugBank: DB12001
PubChem: 46220502
ChEMBL: CHEMBL3301610
InChI Key: UZWDCWONPYILKI-UHFFFAOYSA-N
SMILES: CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzimidazoles
      • Subclass: None

List of proteins that are targets for DB12001

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	Q13627_6ZV	Q13627	Dual specificity tyrosine-phosphorylation-regulated	n/a
2	Q9H422_6ZV	Q9H422	Homeodomain-interacting protein kinase	n/a
3	P11802_6ZV	P11802	Cyclin-dependent kinase 4	inhibitor
4	Q00534_6ZV	Q00534	Cyclin-dependent kinase 6	inhibitor