Ligand name: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID
PDB ligand accession: SM2
DrugBank: DB08551
PubChem: 5289377
ChEMBL: CHEMBL257468
InChI Key: HQLQTGGLHBYZSA-ZDUSSCGKSA-N
SMILES: B(C(c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q6DRA1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5W13	Download	Experimental	e5w13A1 e5w13A2 e5w13B1 e5w13B2 e5w13C1 e5w13C2 e5w13D1 e5w13D2	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 alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like	LigPlot