Ligand name: (2R)-2-(4-hydroxyphenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid
PDB ligand accession: 8PO
DrugBank: n/a
PubChem: 132274395
ChEMBL: CHEMBL4167648
InChI Key: XFVAHOYBWXJSDW-GMSGAONNSA-N
SMILES: CC(CS)C(=O)NC(c1ccc(cc1)O)C(=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 Q9K2N0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5Y6E	Download	Experimental	e5y6eA1 e5y6eB1	Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase	LigPlot