Ligand name: N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
PDB ligand accession: IRG
DrugBank: n/a
PubChem: 70678412
ChEMBL: n/a
InChI Key: WCANXWUISJCJOB-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)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 Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4EH7	Download	Experimental	e4eh7A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4EH6	Download	Experimental	e4eh6A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4EH8	Download	Experimental	e4eh8A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4EH4	Download	Experimental	e4eh4A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4EH2	Download	Experimental	e4eh2A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4EH3	Download	Experimental	e4eh3A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4EHV	Download	Experimental	e4ehvA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4EH9	Download	Experimental	e4eh9A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4DLI	Download	Experimental	e4dliA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4EH5	Download	Experimental	e4eh5A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot