Ligand name: [(R)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
PDB ligand accession: BX9
DrugBank: n/a
PubChem: 138753149
ChEMBL: CHEMBL4453017
InChI Key: CDDJMEDWZMPIRW-XCBNKYQSSA-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
6JN4	Download	Experimental	e6jn4A1 e6jn4A2 e6jn4B1 e6jn4B2 e6jn4C1 e6jn4C2 e6jn4D1 e6jn4D2	Profilin-like 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 alpha-helical domain in beta-lactamase/transpeptidase-like proteins	LigPlot