(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: F7W
File name: alatis_output_compound.sdf
|
Formula: C11F1H11N2O2 Compound mass: 222.2152000000001 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 |
| F7W | 5O7U |
| FTR | 5O7V 2ZNX 4NAM 2JT8 2JTZ 1I45 5K3C 5OLY 5FWG 1NF0 5OLX 5CVT 5CTJ 5OLW 1NEY |
| FT6 | 2NW9 6FW9 4EAR |
| 4FW | 1RM9 5O7W 6FW7 4B2J |
| TRP_LEO2H |
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.