(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 57Q
File name: alatis_output_compound.sdf
|
Formula: C17H15N1O2 Compound mass: 265.3059 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 |
| 57Q | 5D4A |
| 57P | 5D45 |
| ET | 1T9X 3HTJ 3V78 5FFZ 3VVY 3Q2Y 6KO7 1QVU 1OY9 5KCB 5BUC 3BR3 1JTY 4ZVK 5ER5 2ZOZ 3PM1 4HUM |
| DCU | 1J07 |
| DR1 | 1K9G |
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.