Ligand name: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
PDB ligand accession: EEX
DrugBank: n/a
PubChem: 53767469
ChEMBL: CHEMBL4744333
InChI Key: DMGKNMLYAQKRNE-BXKDBHETSA-N
SMILES: CC(CS)C(=O)N1CCc2ccccc2C1C(=O)O
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 C7C422

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6LJ2	Download	Experimental	e6lj2A1	Metallo-hydrolase/oxidoreductase	LigPlot
6LJ1	Download	Experimental	e6lj1A1	Metallo-hydrolase/oxidoreductase	LigPlot