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 P54868

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2WYA	Download	Experimental	e2wyaA1 e2wyaA2 e2wyaD1 e2wyaB1 e2wyaB2 e2wyaC2 e2wyaB1 e2wyaC1 e2wyaC2 e2wyaA1 e2wyaD1 e2wyaD2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot