Ligand name: (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID
PDB ligand accession: SM3
DrugBank: DB08552
PubChem: 5289378
ChEMBL: CHEMBL404155
InChI Key: LGJCDEZMANATFA-ZDUSSCGKSA-N
SMILES: B(C(c1ccccc1)NC(=O)Cc2cccs2)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P00811

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1MY8	Download	Experimental	e1my8A1 e1my8A2 e1my8B1 e1my8B2	alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like	LigPlot
1PI4	Download	Experimental	e1pi4A1 e1pi4A2 e1pi4B1 e1pi4B2	alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like	LigPlot
2FFY	Download	Experimental	e2ffyA1 e2ffyA2 e2ffyB1 e2ffyB2	alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like	LigPlot