Ligand name: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE
PDB ligand accession: STI
DrugBank: DB00619
PubChem: 5291
ChEMBL: CHEMBL941
InChI Key: KTUFNOKKBVMGRW-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
Drug action: antagonist

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Anilides

List of PDB structures and/or AlphaFold models with target protein P16234

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6JOL	Download	Experimental	e6jolA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot