Ligand name: 1-[1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea
PDB ligand accession: KKE
DrugBank: n/a
PubChem: 145946046
ChEMBL: n/a
InChI Key: VRVPPCOJDHKCRT-UHFFFAOYSA-N
SMILES: [B+]1(c2cc(ccc2CO1)NC(=S)Nc3ccccc3)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: N-phenylthioureas

List of PDB structures and/or AlphaFold models with target protein P00918

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6RVL	Download	Experimental	e6rvlA1	Carbonic anhydrase	LigPlot