Ligand name: 1,5 Dienoyl-CoA
PDB ligand accession: 4KX
DrugBank: n/a
PubChem: 9543186
ChEMBL: n/a
InChI Key: IHXBZDHPKCDGKN-TYHXJLICSA-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)C4=CCCC=C4)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 Q39TV8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4Z3W	Download	Experimental	e4z3wA1 e4z3wA2 e4z3wB1 e4z3wB2 e4z3wC1 e4z3wC2 e4z3wD1 e4z3wD2	Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C	LigPlot
4Z3X	Download	Experimental	e4z3xA1 e4z3xA2 e4z3xB1 e4z3xB2 e4z3xC1 e4z3xC2 e4z3xD1 e4z3xD2	Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C	LigPlot