Ligand name: pentan-2-one
PDB ligand accession: PNH
DrugBank: n/a
PubChem: 7895
ChEMBL: CHEMBL45345
InChI Key: XNLICIUVMPYHGG-UHFFFAOYSA-N
SMILES: CCCC(=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbonyl compounds

List of PDB structures and/or AlphaFold models with target protein Q7NSA6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3BH3	Download	Experimental	e3bh3A1 e3bh3B1 e3bh3C1 e3bh3D1	Acetoacetate decarboxylase-like Acetoacetate decarboxylase-like Acetoacetate decarboxylase-like Acetoacetate decarboxylase-like	LigPlot