Ligand name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
PDB ligand accession: XRA
DrugBank: DB00457
PubChem: 4893
ChEMBL: CHEMBL2
InChI Key: IENZQIKPVFGBNW-UHFFFAOYSA-N
SMILES: COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4

ClassyFire chemical classification:

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

List of proteins that are targets for DB00457

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q12809_XRA	Q12809	inhibitor	IC50(nM) = 1584.89
2	P25100_XRA	P25100	n/a	antagonist	Ki(nM) = 0.06
3	P18089_XRA	P18089	binder	Ki(nM) = 13.0
4	P35348_XRA	P35348	antagonist	Ki(nM) = 0.03 IC50(nM) = 1.2
5	P35368_XRA	P35368	antagonist	Ki(nM) = 0.06
6	P08913_XRA	P08913	binder	Ki(nM) = 210.0
7	P16083_XRA	P16083	n/a	IC50(nM) = 7.8