Ligand name: 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
PDB ligand accession: 585
DrugBank: DB07159
PubChem: 11213558
ChEMBL: CHEMBL475251
InChI Key: NHHQJBCNYHBUSI-UHFFFAOYSA-N
SMILES: CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Aniline and substituted anilines

List of proteins that are targets for 585

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P43405_585	P43405	inhibitor	Ki(nM) = 30.0 IC50(nM) = 5.5 Kd(nM) = 19.0 EC50(nM) = 10.0
2	Q06187_585	Q06187	n/a	Kd(nM) = 190.0