(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: P20
File name: alatis_output_compound.sdf
|
Formula: C10Cl1H12N3O2S1 Compound mass: 273.7387000000001 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 |
| P20 | 1ZG7 |
| L98 | 1ZG8 |
| GIS | 8EST |
| DIF | 6HN0 1PXX 2B17 4ZBQ 3CFQ 2WEK 6HN1 3IB0 4Z69 4XTA 1SV9 5U1R 4UBS 3N8Y 1DVX 4OJ4 1NR6 4ZBR 5DBY |
| 2CL | 2IPW 2IS7 |
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.