Ligand name: [2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{H}-isoquinolin-6-yl] sulfamate
PDB ligand accession: GXN
DrugBank: n/a
PubChem: 122191576
ChEMBL: CHEMBL3622051
InChI Key: AAQOREQGNICBFR-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1OC)Br)CN2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N
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 Q6B856

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HX8	Download	Experimental	e6hx8A1 e6hx8A2 e6hx8B1 e6hx8B2 e6hx8C2 e6hx8D1 e6hx8D2	Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like	LigPlot