(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CN2
File name: alatis_output_compound.sdf
|
Formula: C22H25N1O6S1 Compound mass: 431.5009999999999 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 |
| CN2 | 3DU7 1Z2B 3EDL 1SA0 |
| LOC | 4X1Y 5MIO 4X1I 5ITZ 4LZR 5XIW 4X1K 3E22 5EYP 4X20 3UT5 5NKN 6AJZ 4O2B 6IN1 5NM5 |
| 2SJ | 4LYS |
| 71P | 5LP6 |
| LON | 5XKE |
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.