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

ClassyFire chemical classification:

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

List of proteins that are targets for IRE

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P00533_IRE	P00533	antagonist	Ki(nM) = 0.4 IC50(nM) = 0.1 Kd(nM) = 0.52 EC50(nM) = 2162.0
2	O14976_IRE	O14976	n/a	IC50(nM) = 420.0 Kd(nM) = 7.0