Ligand name: (25S)-3-oxocholest-4-en-26-oyl-CoA
PDB ligand accession: 5JB
DrugBank: n/a
PubChem: 86290150
ChEMBL: n/a
InChI Key: QHTNQHCVKNUPEI-ZAXAEIALSA-N
SMILES: CC(CCCC(C)C(=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)C4CCC5C4(CCC6C5CCC7=CC(=O)CCC67C)C
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 P96856

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5AQC	Download	Experimental	e5aqcA1 e5aqcA2 e5aqcB1 e5aqcB2	Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain HTH	LigPlot