Ligand name: [(1S)-2-(1-benzofuran-3-yl)-1-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethyl]boronic acid
PDB ligand accession: BY0
DrugBank: n/a
PubChem: 138455174
ChEMBL: CHEMBL4460127
InChI Key: RHFFZKGRUWBIGC-NOZJJQNGSA-N
SMILES: B(C(Cc1coc2c1cccc2)NC(=O)C(C)CS)(O)O
Drug action: n/a

ClassyFire chemical classification:

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

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
6JN6	Download	Experimental	e6jn6A1 e6jn6B1	Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase	LigPlot