Ligand name: 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
PDB ligand accession: DD3
DrugBank: DB07644
PubChem: 24778299
ChEMBL: CHEMBL253976
InChI Key: IDHINEMSCUFEIP-VIFPVBQESA-N
SMILES: CC(c1cccc(c1)Cl)Oc2cccc3c2c(nc(n3)N)N
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 Q96C86

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3BLA	Download	Experimental	e3blaB1 e3blaA1 e3blaA2 e3blaB2	mRNA decapping enzyme DcpS N-terminal domain mRNA decapping enzyme DcpS N-terminal domain HIT-like HIT-like	LigPlot