Ligand name: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine
PDB ligand accession: 6GY
DrugBank: DB12267
PubChem: 68165256
ChEMBL: CHEMBL3545311
InChI Key: AILRADAXUVEEIR-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Phenylpiperidines

List of drug binding-associated PTMs

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
7AEM	Download	Experimental	e7aemA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7ZYM	Download	Experimental	e7zymA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
8H7X	Download	Experimental	e8h7xA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot