(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: VOR
File name: alatis_output_compound.sdf
|
Formula: C16F3H14N5O1 Compound mass: 349.30990000000014 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 |
| VOR | 3MDT 4UYM 6AY6 6H1O 4ZE0 5HS1 |
| TPF | 4ZDZ 4WMZ 5ESM 2IJ7 3L4D 5ESF 6H1S 2WUZ 6AY4 2WX2 4ZE3 2WV2 1EA1 6MA7 3KHM 5ESJ 5ESE |
| FNZ | 2C1P |
| 361 | 3HAC |
| 9RL | 6A17 |
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.