Ligand name: 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
PDB ligand accession: R85
DrugBank: n/a
PubChem: 155920468
ChEMBL: CHEMBL5086066
InChI Key: VRANZECSVKDQPO-UHFFFAOYSA-N
SMILES: Cn1cc(cn1)c2cc(c(cc2N3CCC(CC3)N(C)C)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)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
7AEI	Download	Experimental	e7aeiA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot