Ligand name: N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide
PDB ligand accession: 6H3
DrugBank: n/a
PubChem: 134130572
ChEMBL: CHEMBL3884293
InChI Key: IIMJCIGRKJCCHT-UHFFFAOYSA-N
SMILES: CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)Cl
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein O43318

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5J7S	Download	Experimental	e5j7sA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot