Ligand name: 2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM
PDB ligand accession: AI3
DrugBank: DB07354
PubChem: 5287652
ChEMBL: n/a
InChI Key: LXDREMZQGAILJU-UHFFFAOYSA-O
SMILES: COc1cc2c[nH+]c-3c(c2cc1OC)Cc4c3cc5c(c4)OCO5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: None

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P11387

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1TL8	Download	Experimental	e1tl8A6 e1tl8A1	HTH Beta-strand domain in eukaryotic DNA topoisomerase I, N-terminal DNA-binding fragment	LigPlot