Ligand name: N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide
PDB ligand accession: 9JO
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL4294743
InChI Key: WVLWGBZNXIVAKC-YOCNBXQISA-N
SMILES: CCC(=O)NC1CCC(CC1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)CN(C2=O)c6ccccc6Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom:
  • Superclass:
    • Class:
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6JRX	Download	Experimental	e6jrxA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5ZTO	Download	Experimental	e5ztoA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot