Ligand name: ethyl 4-chloranyl-3-oxidanylidene-butanoate
PDB ligand accession: 83I
DrugBank: n/a
PubChem: 69484
ChEMBL: CHEMBL3187729
InChI Key: OHLRLMWUFVDREV-UHFFFAOYSA-N
SMILES: CCOC(=O)CC(=O)CCl
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein B2KJ46

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7VYQ	Download	Experimental	e7vyqA1 e7vyqB1 e7vyqF1 e7vyqG1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot