Ligand name: 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE
PDB ligand accession: 084
DrugBank: DB01761
PubChem: 447721
ChEMBL: CHEMBL305178
InChI Key: QICPQLFMWYQJGX-SFHVURJKSA-N
SMILES: CC(c1ccccc1)Nc2nccc(n2)c3c(nc(n3C)C4CCNCC4)c5cccc(c5)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Imidazoles

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1OUK	Download	Experimental	e1oukA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot