Ligand name: Itaconyl coenzyme A
PDB ligand accession: NJS
DrugBank: n/a
PubChem: 145946091
ChEMBL: n/a
InChI Key: SJCVDYMGDNNJTF-BIBYKGKUSA-N
SMILES: CC(=CC(=O)SCCNC(CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O)C(=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 A0A0E8UW09

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6OXD	Download	Experimental	e6oxdA1 e6oxdB2	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot