GLORY
Predict Cytochrome P450 Metabolites

Select mode:

Provide input molecules:

Enter SMILES

Example: CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3

or upload a file with a list of SMILES
or upload an sdf file
or draw your own molecule

GLORY

GLORY is a tool for predicting metabolites that can be formed in humans by enzymes belonging to the cytochrome P450 (CYP) enzyme family.

Sites of metabolism (SoM) are predicted with FAME 2, then combined with CYP-mediated reactions from the reaction rule set that was created specifically for GLORY. The structures of the predicted metabolites are provided in an sdf file.

For more information, see the About page.

How to cite

If you are using GLORY for your research, please cite:

de Bruyn Kops, C.; Stork, C.; Šícho, M.; Kochev, N.; Svozil, D.; Jeliazkova, N.; Kirchmair, J. GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism. Front. Chem. 2019, 7:402.
doi: 10.3389/fchem.2019.00402

Choosing a mode

MaxCoverage
MaxEfficiency
  • Default recommended mode.
  • Recommended when limiting the number of predicted metabolites is of critical interest.
  • Applies the reaction rules to all positions in the molecule.
  • Applies the reaction rules only at positions which were predicted to be SoMs.
  • Was found to result in high recall of known metabolites and was able to meaningfully rank the large number of predicted metabolites.
  • Was found to result in a lower recall and slightly higher precision than MaxCoverage mode.