Ligand name: (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
PDB ligand accession: KL8
DrugBank: n/a
PubChem: 145998273
ChEMBL: n/a
InChI Key: NCOFNSDHLWCKKT-CQSZACIVSA-N
SMILES: [B-]1(C(Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(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 Q9K2N0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6RPN	Download	Experimental	e6rpnA1 e6rpnB1	Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase	LigPlot