Ligand name: 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE
PDB ligand accession: MSQ
DrugBank: DB02984
PubChem: 1714
ChEMBL: CHEMBL29641
InChI Key: FUSDVOSGGMBSMK-UHFFFAOYSA-N
SMILES: COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)SC
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
1DI9	Download	Experimental	e1di9A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot