Ligand name: 2-KETOBUTYRIC ACID
PDB ligand accession: 2KT
DrugBank: DB04553
PubChem: 58
ChEMBL: CHEMBL171246
InChI Key: TYEYBOSBBBHJIV-UHFFFAOYSA-N
SMILES: CCC(=O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Keto acids and derivatives
      • Subclass: Short-chain keto acids and derivatives

List of PDB structures and/or AlphaFold models with target protein B1IS70

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4B5T	Download	Experimental	e4b5tA1 e4b5tB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot