Ligand name: N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide
PDB ligand accession: MK9
DrugBank: n/a
PubChem: 53348188
ChEMBL: CHEMBL2216830
InChI Key: DNVFTXQYIYFQBW-UHFFFAOYSA-N
SMILES: CCN(CC)CCCCNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)Cc4cccc(c4)NC(=O)C=C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P11362

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6C1O	Download	Experimental	e6c1oA1 e6c1oB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot