(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: D8Y
File name: alatis_output_compound.sdf
|
Formula: C13Cl1H13N2 Compound mass: 232.70820000000006 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 |
| D8Y | 3KMY |
| M4D | 5AWC |
| XFJ | 3N69 3N65 3N5T 3N62 3N6F 3N5W 4UG6 3N6B 3N61 |
| XFK | 3N5X 3N6G 3N5S 3N6A 4UG5 |
| 9B3 | 5ZEQ |
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.