Ligand name: S-4-NITROBUTYRYL-COA
PDB ligand accession: NBC
DrugBank: DB03245
PubChem: 448575
ChEMBL: n/a
InChI Key: PXNIOQHGCSEKCC-CITAKDKDSA-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)CCC[N+](=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 drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q92947

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1SIR	Download	Experimental	e1sirA1 e1sirA2 e1sirA3	Acyl-CoA dehydrogenase middle domain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like	LigPlot