Ligand name: 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide
PDB ligand accession: 66K
DrugBank: n/a
PubChem: 121232411
ChEMBL: CHEMBL3963223
InChI Key: CBLZTDLZCXMNCE-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1OC2CCN(CC2)C(=O)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P00519

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HU9	Download	Experimental	e5hu9A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot