Ligand name: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A
PDB ligand accession: HMG
DrugBank: DB03169
PubChem: 5288565;131704231;
ChEMBL: n/a
InChI Key: CABVTRNMFUVUDM-VRHQGPGLSA-I
SMILES: CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(C)(CC(=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 Q79ZY6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1XPM	Download	Experimental	e1xpmA1 e1xpmA2 e1xpmB1 e1xpmB2 e1xpmC1 e1xpmC2 e1xpmD1 e1xpmD2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot
1XPK	Download	Experimental	e1xpkA1 e1xpkA2 e1xpkC1 e1xpkC2 e1xpkD1 e1xpkD2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot