(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 274
File name: alatis_output_compound.sdf
|
Formula: C28Cl1H30N5O4S1 Compound mass: 568.0856999999983 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 |
| 274 | 2J7T |
| J60 | 2XIK 2JAM 3HZT 4NZW |
| PFY | 2WKM |
| B49 | 3MIY 6NG0 6NFZ 2Y7J 4KS8 3G0E 6NFY 3G0F 4AGD 4QMZ 3TI1 |
| 5Z5 | 2JAV |
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.