(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 487
File name: alatis_output_compound.sdf
|
Formula: C13H24N6 Compound mass: 264.3689000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.20
- Compound probability: 0.16
List of identified carbohydrate fragments:
-
C2H6N1
Fragment probability: 0.20
Fragment mass: 98.1063
Fragment main chain atoms: [2, 18, 3]
Fragment all atoms: [2, 23, 24, 25, 18, 3, 26, 27, 28]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 487 | 4Y5N |
| 45O | 4Y3A |
| ORG | 3KW9 |
| V65 | 4AXM |
| FKB | 6H0U |
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
Disclaimer:
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- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.