Ligand name: (S)-3-Hydroxyhexanoyl-CoA
PDB ligand accession: 3H9
DrugBank: n/a
PubChem: 52921626
ChEMBL: n/a
InChI Key: VAAHKRMGOFIORX-IKTBLOROSA-J
SMILES: CCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Fatty Acyls
      • Subclass: Fatty acyl thioesters

List of PDB structures and/or AlphaFold models with target protein P96907

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4FND	Download	Experimental	e4fndA1	ClpP/crotonase	LigPlot