Ligand name: OCTANOYL-COENZYME A
PDB ligand accession: CO8
DrugBank: DB02910
PubChem: 445344
ChEMBL: n/a
InChI Key: KQMZYOXOBSXMII-CECATXLMSA-N
SMILES: CCCCCCCC(=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 P77455

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6JQN	Download	Experimental	e6jqnA3 e6jqnB1 e6jqnB3 e6jqnA1 e6jqnA3 e6jqnB3 e6jqnC3 e6jqnD1 e6jqnD3 e6jqnC1 e6jqnC3 e6jqnD3 e6jqnE3 e6jqnF1 e6jqnF3 e6jqnE1 e6jqnE3 e6jqnF3	Thioesterase/thiol ester dehydrase-isomerase-like ALDH-like Thioesterase/thiol ester dehydrase-isomerase-like ALDH-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like ALDH-like Thioesterase/thiol ester dehydrase-isomerase-like ALDH-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like ALDH-like Thioesterase/thiol ester dehydrase-isomerase-like ALDH-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot