(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NAL
File name: alatis_output_compound.sdf
|
Formula: C13H13N1O2 Compound mass: 215.24730000000008 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 |
| NA8 | 2WW7 |
| ALN | 3FIV 2FIV 6HLD 6Q36 1FIV 3OE0 1B0H |
| 4J2 | 2N7O 2N7T |
| NAL | 1ZWU 2K6R 5OJT 1SKL 2JT9 4THN 5GDS 2ITK 1ZH0 2Q5A |
| PHE |
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.