Ligand name: Gefitinib
PDB ligand accession: IRE
DrugBank: DB00317
PubChem: 123631
ChEMBL: CHEMBL939
InChI Key: XGALLCVXEZPNRQ-UHFFFAOYSA-N
SMILES: COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Drug action: antagonist

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
3UG2	Download	Experimental	e3ug2A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2ITO	Download	Experimental	e2itoA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4I22	Download	Experimental	e4i22A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4WKQ	Download	Experimental	e4wkqA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2ITY	Download	Experimental	e2ityA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2ITZ	Download	Experimental	e2itzA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot