Ligand name: (5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one
PDB ligand accession: B89
DrugBank: n/a
PubChem: 135564689
ChEMBL: n/a
InChI Key: IOYNQIMAUDJVEI-FGWLPLFYSA-N
SMILES: CCC(=NOCC=CCl)C1=C(CC(CC1=O)C2CCOCC2)O
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 Q00955

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3K8X	Download	Experimental	e3k8xA3 e3k8xB3 e3k8xC4 e3k8xB4 e3k8xC3	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot