Ligand name: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
PDB ligand accession: CTI
DrugBank: DB17024
PubChem: 2703
ChEMBL: CHEMBL13045
InChI Key: LLEJIEBFSOEYIV-UHFFFAOYSA-N
SMILES: C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Alkaloids and derivatives
    • Class: Benzophenanthridine alkaloids
      • Subclass: Quaternary benzophenanthridine alkaloids

List of PDB structures and/or AlphaFold models with target protein Q9AMP1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3AS1	Download	Experimental	e3as1A3	TIM beta/alpha-barrel	LigPlot
3ARW	Download	Experimental	e3arwA3 e3arwA2	TIM beta/alpha-barrel FKBP-like	LigPlot