Ligand name: 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium
PDB ligand accession: Q41
DrugBank: n/a
PubChem: 145714284
ChEMBL: n/a
InChI Key: PKONCIPMLLIAIL-UHFFFAOYSA-O
SMILES: Cc1cc(ccc1c2cc(cc3c2CCN(C3=O)Cc4cc(cc(c4)OC)OC)C[n+]5ccn(c5N)C)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: Benzylisoquinolines

List of PDB structures and/or AlphaFold models with target protein P61964

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6UCS	Download	Experimental	e6ucsA1 e6ucsB1	beta-propeller-like beta-propeller-like	LigPlot