Ligand name: (3S)-citryl-Coenzyme A
PDB ligand accession: Q5B
DrugBank: n/a
PubChem: 145712502
ChEMBL: n/a
InChI Key: IHVFHZGGMJDGGZ-VPXVXCNZSA-N
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(CC(=O)O)(C(=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 A0A7K4AGC1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6ZNW	Download	Experimental	e6znwB1	Citrate synthase-like	LigPlot