Ligand name: {5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID
PDB ligand accession: VA1
DrugBank: n/a
PubChem: 23655305
ChEMBL: CHEMBL235073
InChI Key: GVTZPLCQJFQOTQ-UHFFFAOYSA-N
SMILES: B(c1cc2cc(ccc2s1)CN(C=O)C=O)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzothiophenes
      • Subclass: 1-benzothiophenes

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
2I72	Download	Experimental	e2i72A1 e2i72A2 e2i72B1 e2i72B2	alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like	LigPlot