Ligand name: N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
PDB ligand accession: P40
DrugBank: DB08351
PubChem: 24963046
ChEMBL: CHEMBL494072
InChI Key: MNEXDVSJIUQQRH-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)NC5CC5
Drug action: n/a

ClassyFire chemical classification:

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

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
3DT1	Download	Experimental	e3dt1A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot