Ligand name: N-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide
PDB ligand accession: AAV
DrugBank: n/a
PubChem: 11554076
ChEMBL: CHEMBL2031461
InChI Key: SWLHHASUIJPBPZ-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)Nc5ccon5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4AAC	Download	Experimental	e4aacA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot