Ligand name: 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one
PDB ligand accession: 9O5
DrugBank: n/a
PubChem: 137348844
ChEMBL: n/a
InChI Key: KBMFFRCBXRMQHN-UHFFFAOYSA-N
SMILES: CC(=O)CCc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

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
5O8U	Download	Experimental	e5o8uA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot