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
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q13627

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7O7K	Download	Experimental	e7o7kA1 e7o7kB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot