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 A0R2B1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2XTA	Download	Experimental	e2xtaA2 e2xtaA3 e2xtaC2 e2xtaC3 e2xtaD2 e2xtaD3	Thiamin diphosphate-binding fold (THDP-binding) TK C-terminal domain-like Thiamin diphosphate-binding fold (THDP-binding) TK C-terminal domain-like Thiamin diphosphate-binding fold (THDP-binding) TK C-terminal domain-like	LigPlot
2Y0P	Download	Experimental	e2y0pA2 e2y0pA3 e2y0pB2 e2y0pB3 e2y0pC2 e2y0pC3 e2y0pD2 e2y0pD3	Thiamin diphosphate-binding fold (THDP-binding) TK C-terminal domain-like Thiamin diphosphate-binding fold (THDP-binding) TK C-terminal domain-like Thiamin diphosphate-binding fold (THDP-binding) TK C-terminal domain-like Thiamin diphosphate-binding fold (THDP-binding) TK C-terminal domain-like	LigPlot