Ligand name: DODECYL-COA
PDB ligand accession: DCC
DrugBank: DB03264
PubChem: 165436
ChEMBL: n/a
InChI Key: YMCXGHLSVALICC-GMHMEAMDSA-N
SMILES: CCCCCCCCCCCC(=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 Q5SM42

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ANP	Download	Experimental	e3anpC1 e3anpC2 e3anpD2 e3anpA1 e3anpA2 e3anpB2	HTH Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain	LigPlot
3ANG	Download	Experimental	e3angC2 e3angD1 e3angD2 e3angA1 e3angA2 e3angB2 e3angC1 e3angC2 e3angD2 e3angA2 e3angB1 e3angB2	Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain	LigPlot