Ligand name: (4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one
PDB ligand accession: B1Q
DrugBank: DB12268
PubChem: 11417567
ChEMBL: CHEMBL591118
InChI Key: GUYMHFIHHOEFOA-ZCPGHIKRSA-N
SMILES: COc1cc2c(cc1OC)C3CC(C(CN3CC2)N4CC(CC4=O)CF)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Tetrahydroisoquinolines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P27487

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3KWF	Download	Experimental	e3kwfA1 e3kwfA2 e3kwfB1 e3kwfB2	beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases	LigPlot