Ligand name: undecan-2-one
PDB ligand accession: UOC
DrugBank: DB08688
PubChem: 8163
ChEMBL: CHEMBL1236582
InChI Key: KYWIYKKSMDLRDC-UHFFFAOYSA-N
SMILES: CCCCCCCCCC(=O)C
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q9NPJ3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3F5O	Download	Experimental	e3f5oA1 e3f5oB1 e3f5oC1 e3f5oD1 e3f5oC1 e3f5oD1 e3f5oE1 e3f5oE1 e3f5oF1 e3f5oG1 e3f5oH1	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot