(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PFF
File name: alatis_output_compound.sdf
|
Formula: C9F1H10N1O2 Compound mass: 183.1792000000001 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 |
| PFF | 1ZNT 5BMM 3F3C 1OL2 2UUE 2X1N 2MUZ 2WHB 4OFB 4JQG 1OL1 3D39 2C5V |
| F2F | 3D3V |
| 9DT | 5NX2 |
| WFP | 6NAH 3KTK 4U0G 6BBA 6PMD 6PKA 3KTJ |
| 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.