Ligand name: (1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PDB ligand accession: R9T
DrugBank: n/a
PubChem: 688594
ChEMBL: n/a
InChI Key: YXWQTVWJNHKSCC-MRXNPFEDSA-N
SMILES: COc1ccc(cc1OC)CC2c3cc(c(cc3CCN2)OC)OC
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 C3SBW0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KOK	Download	Experimental	e5kokA1 e5kokB1	Rossmann-like Rossmann-like	LigPlot