Ligand name: undeca-2-one coenzyme A
PDB ligand accession: UOQ
DrugBank: n/a
PubChem: 137350093
ChEMBL: n/a
InChI Key: JYQFMIDTWJSOBJ-BDQXTIGLSA-N
SMILES: CCCCCCCCCC(=O)CSCCNC(=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: S-alkyl-CoAs
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P77781

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4K4B	Download	Experimental	e4k4bA1 e4k4bB1 e4k4bC1 e4k4bA1 e4k4bB1 e4k4bD1 e4k4bA1 e4k4bC1 e4k4bD1 e4k4bC1 e4k4bD1 e4k4bE1 e4k4bF1 e4k4bG1 e4k4bF1 e4k4bG1 e4k4bH1 e4k4bE1 e4k4bF1 e4k4bH1	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot