Ligand name: 3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
PDB ligand accession: FSS
DrugBank: n/a
PubChem: 49867002
ChEMBL: n/a
InChI Key: MROKTXFTKSWSMO-UHFFFAOYSA-N
SMILES: CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3FSF	Download	Experimental	e3fsfA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot