Ligand name: 1-BUTANE BORONIC ACID
PDB ligand accession: BUB
DrugBank: DB02664
PubChem: 20479
ChEMBL: CHEMBL31962
InChI Key: QPKFVRWIISEVCW-UHFFFAOYSA-N
SMILES: B(CCCC)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Boronic acid derivatives
      • Subclass: Boronic acids

List of PDB structures and/or AlphaFold models with target protein Q7SID3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4OB1	Download	Experimental	e4ob1A1 e4ob1B2	Nitrile hydratase alpha chain Nitrile hydratase subunit beta N-termial domain	LigPlot
4OB2	Download	Experimental	e4ob2A1 e4ob2B1 e4ob2B2	Nitrile hydratase alpha chain SH3 Nitrile hydratase subunit beta N-termial domain	LigPlot