(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AEF
File name: alatis_output_compound.sdf
|
Formula: C8H11N1O1 Compound mass: 137.17860000000005 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 |
| AEF | 5FF9 3BRA 4N7C |
| AEG | 3BUF |
| LDP | 5PHH 5LOG 4DUB 2VQ5 3NK2 4A7V 2A3R 4XP1 4DU2 6DYO 4DTZ 2QMZ 5PAH |
| ZHH | 2HKR |
| AEH | 3BUG |
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.