(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 172
File name: alatis_output_compound.sdf
|
Formula: C7H7N3O1 Compound mass: 149.14970000000002 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 |
| 172 | 3KR0 1FV9 |
| ES0 | 3KQY |
| 5OB | 1JHP |
| AX7 | 3KQS 3GN1 5PAR 5Z9L 6EQ5 5Z4H 5SWG 5Z4O 5Z9E 5Z9P 5Z9B 5Z9F 5Z9Q |
| DQU | 1Q4W 1R5Y |
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.