(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ABN
File name: alatis_output_compound.sdf
|
Formula: C7H9N1 Compound mass: 107.15270000000005 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 |
| UFZ | 5MOR 5MO1 |
| ABN | 1UTN 4EV5 5MNM 4JSQ 1UTJ 2HXC 3NZX 1N6Y 4JSU 3NZW 2EUS 5MNK 5MNL 3NZJ 4JT0 5PA9 1N6X 2BZA |
| 7CD | |
| KNN | |
| D5B | 6FC9 |
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:
- The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.