Ligand name: 9-O-3'-quinolinium propylberberine
PDB ligand accession: 8KL
DrugBank: n/a
PubChem: 44583340
ChEMBL: CHEMBL1187414
InChI Key: NCXCLFQYKFLSTH-UHFFFAOYSA-N
SMILES: COc1ccc2cc-3[n+](cc2c1OCCC[n+]4cccc5c4cccc5)CCc6c3cc7c(c6)OCO7
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Alkaloids and derivatives
    • Class: Protoberberine alkaloids and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q06GJ0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5Y1B	Download	Experimental	e5y1bA1	TIM beta/alpha-barrel	LigPlot