Ligand name: ACETOACETIC ACID
PDB ligand accession: AAE
DrugBank: DB01762
PubChem: 96
ChEMBL: CHEMBL1230762
InChI Key: WDJHALXBUFZDSR-UHFFFAOYSA-N
SMILES: CC(=O)CC(=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 P9WPE1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6AS5	Download	Experimental	e6as5A1 e6as5C1 e6as5A1 e6as5B1 e6as5B1 e6as5C1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
6CJ4	Download	Experimental	e6cj4A1	TIM beta/alpha-barrel	LigPlot