Ligand name: 4-HYDROXYPHENACYL COENZYME A
PDB ligand accession: 4CO
DrugBank: DB03613
PubChem: 446968
ChEMBL: n/a
InChI Key: ZQLMPRRTUJBILA-VXAHOBLNSA-N
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)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 Q04416

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3R37	Download	Experimental	e3r37A2 e3r37B2	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot
3R3C	Download	Experimental	e3r3cA2 e3r3cB2	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot
3R3F	Download	Experimental	e3r3fA2 e3r3fB2	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot
3R3B	Download	Experimental	e3r3bB2 e3r3bA2	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot
3TEA	Download	Experimental	e3teaA2 e3teaB2	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot
3R3D	Download	Experimental	e3r3dB2 e3r3dA2	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot
1Q4T	Download	Experimental	e1q4tB1 e1q4tA1	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot
3R32	Download	Experimental	e3r32A2 e3r32B2	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot
3R35	Download	Experimental	e3r35A2 e3r35B2	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot