Ligand name: (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
PDB ligand accession: J94
DrugBank: n/a
PubChem: 104872
ChEMBL: CHEMBL515679
InChI Key: WDIQXKYUSINZME-RBUKOAKNSA-N
SMILES: C[N+]1(CCc2cc3c(cc2C1C4c5ccc6c(c5C(=O)O4)OCO6)OCO3)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Alkaloids and derivatives
    • Class: Phthalide isoquinolines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P03366

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4IG3	Download	Experimental	e4ig3B6 e4ig3A8	Alpha-beta plaits Alpha-beta plaits	LigPlot