Ligand name: 2-Ketohexanoic acid
PDB ligand accession: 7N5
DrugBank: n/a
PubChem: 159664
ChEMBL: CHEMBL3247426
InChI Key: XNIHZNNZJHYHLC-UHFFFAOYSA-N
SMILES: CCCCC(=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: Medium-chain keto acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q2VEQ7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5MHA	Download	Experimental	e5mhaA1 e5mhaA2 e5mhaB1 e5mhaB2	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
5MH5	Download	Experimental	e5mh5A1 e5mh5A2 e5mh5B1 e5mh5B2	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
5MH6	Download	Experimental	e5mh6A1 e5mh6A2 e5mh6B1 e5mh6B2 e5mh6C1 e5mh6C2 e5mh6D1 e5mh6D2	Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot