Ligand name: (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
PDB ligand accession: EKX
DrugBank: n/a
PubChem: 155804411
ChEMBL: n/a
InChI Key: DMGKNMLYAQKRNE-SKDRFNHKSA-N
SMILES: CC(CS)C(=O)N1CCc2ccccc2C1C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

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