Ligand name: [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
PDB ligand accession: BXU
DrugBank: n/a
PubChem: 138455171
ChEMBL: CHEMBL4545947
InChI Key: CDDJMEDWZMPIRW-GMSGAONNSA-N
SMILES: B(C(c1ccc(cc1)F)NC(=O)C(C)CS)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Halobenzenes

List of PDB structures and/or AlphaFold models with target protein Q93LQ9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6JN5	Download	Experimental	e6jn5A1 e6jn5A2 e6jn5B1 e6jn5B2 e6jn5C1 e6jn5C2 e6jn5D1 e6jn5D2	Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like	LigPlot