Ligand name: 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine
PDB ligand accession: 7VH
DrugBank: n/a
PubChem: 151183629
ChEMBL: CHEMBL5176897
InChI Key: NEVDBLDTOAJSBN-UHFFFAOYSA-N
SMILES: CCS(=O)(=O)n1cc(c2c1cccc2)c3c(cnc(n3)Nc4cc(c(cc4OC)N5CCC(CC5)N6CCN(CC6)C)Cl)Cl
Drug action: n/a

ClassyFire chemical classification:

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

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
7VRE	Download	Experimental	e7vreA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot