(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 762
File name: alatis_output_compound.sdf
|
Formula: C20Cl1H15N4O1 Compound mass: 362.8117000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 762 | 1O2M 1O2L 1O2N |
| 130 | 1GJC 1GJ5 1GJB |
| 780 | 1O3A 1O3C 1O39 1O3B 1O3D |
| 132 | 1GJ4 1GJ6 1O5E 1GJ7 |
| D98 | 4AGZ 4AH0 |
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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- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.