Ligand name: 3R-HYDROXYDECANOYL-COENZYME A
PDB ligand accession: HDC
DrugBank: DB03192
PubChem: 447877
ChEMBL: n/a
InChI Key: HIVSMYZAMUNFKZ-PDQACDDGSA-N
SMILES: CCCCCCCC(CC(=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)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 P22414

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1PN4	Download	Experimental	e1pn4A1 e1pn4A2 e1pn4B1 e1pn4B2 e1pn4D1 e1pn4D2	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