Ligand name: N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE
PDB ligand accession: H8H
DrugBank: DB11805
PubChem: 10302451
ChEMBL: CHEMBL217092
InChI Key: OUKYUETWWIPKQR-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl
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 Q9Y6E0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4QMX	Download	Experimental	e4qmxA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot