Ligand name: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide
PDB ligand accession: 1C9
DrugBank: DB11963
PubChem: 11511120
ChEMBL: CHEMBL2110732
InChI Key: LVXJQMNHJWSHET-AATRIKPKSA-N
SMILES: COc1cc2c(cc1NC(=O)C=CCN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4I24	Download	Experimental	e4i24A2 e4i24B2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4I23	Download	Experimental	e4i23A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot