Ligand name: 3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid
PDB ligand accession: 9TG
DrugBank: n/a
PubChem: 49837399
ChEMBL: CHEMBL1277225
InChI Key: SHAOGLYXUUWVRD-ZDUSSCGKSA-N
SMILES: B(C(Cc1cccc(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
5W12	Download	Experimental	e5w12A1 e5w12A2 e5w12B1 e5w12B2 e5w12C1 e5w12C2 e5w12D1 e5w12D2	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 Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins	LigPlot