Ligand name: 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile
PDB ligand accession: KK6
DrugBank: n/a
PubChem: 121395437
ChEMBL: CHEMBL5206668
InChI Key: STWRRCLLHUNQOS-UHFFFAOYSA-N
SMILES: COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(c(c6)C#N)F
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 Q9H2K2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7CE4	Download	Experimental	e7ce4A1 e7ce4B1	ADP-ribosylation ADP-ribosylation	LigPlot