Ligand name: propionyl Coenzyme A
PDB ligand accession: 1VU
DrugBank: DB02912
PubChem: 92753
ChEMBL: n/a
InChI Key: QAQREVBBADEHPA-IEXPHMLFSA-N
SMILES: CCC(=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
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 Q21A49

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5JFM	Download	Experimental	e5jfmA1 e5jfmA2 e5jfmC1 e5jfmC2 e5jfmD1 e5jfmD2 e5jfmE1 e5jfmE2 e5jfmF1 e5jfmF2 e5jfmG1 e5jfmG2 e5jfmH1 e5jfmH2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot
5JFN	Download	Experimental	e5jfnA1 e5jfnA2	ALDH-like ALDH-like	LigPlot