Ligand name: N-(3-{[2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)propanamide
PDB ligand accession: 8OV
DrugBank: n/a
PubChem: 137348735
ChEMBL: n/a
InChI Key: XRXFHVJORXTVSS-UHFFFAOYSA-N
SMILES: CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C(=O)C)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

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
5UWD	Download	Experimental	e5uwdA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot