Ligand name: ACETYL COENZYME *A
PDB ligand accession: ACO
DrugBank: n/a
PubChem: 444493
ChEMBL: CHEMBL1230809
InChI Key: ZSLZBFCDCINBPY-ZSJPKINUSA-N
SMILES: 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
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 P50870

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1KK4	Download	Experimental	e1kk4B1 e1kk4A1 e1kk4B1 e1kk4C1 e1kk4C1 e1kk4A1 e1kk4D1 e1kk4E1 e1kk4E1 e1kk4F1 e1kk4D1 e1kk4F1	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix	LigPlot
1MR9	Download	Experimental	e1mr9A1 e1mr9C1 e1mr9C1 e1mr9B1 e1mr9Z1 e1mr9X1 e1mr9X1 e1mr9Y1 e1mr9Z1 e1mr9Y1	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix	LigPlot