• Example saccharides
• Example non-saccharides
• RCSB Ligand Expo entries
• Saccharide entries in Ligand Expo
• Saccharide fingerprints

Submission ID: XR2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.40
• Compound probability: 0.32

List of identified carbohydrate fragments:

• C₈H₁₂N₄O₂
  Fragment probability: 0.40
  Fragment mass: 194.276
  Fragment main chain atoms: [33, 37, 19, 17, 35, 15, 16, 36, 18, 20, 38, 34]
  Fragment all atoms: [33, 43, 37, 19, 71, 72, 17, 67, 68, 35, 15, 63, 64, 16, 65, 66, 36, 18, 69, 70, 20, 73, 74, 38, 34, 44]
  

Most similar ligands:

Citation:

• Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y

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