Ligand name: 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile
PDB ligand accession: HWZ
DrugBank: n/a
PubChem: 146027020
ChEMBL: CHEMBL4642741
InChI Key: MSXKDQJJTLQTRK-UHFFFAOYSA-N
SMILES: CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#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 Q4Q5S8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6QDA	Download	Experimental	e6qdaA1 e6qdaA2	Nat/Ivy Nat/Ivy	LigPlot