(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: P2Y
File name: alatis_output_compound.sdf
|
Formula: C5H12N2 Compound mass: 100.16170000000007 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 |
| P2Y | 1ORW |
| 04S | |
| P24 | 1O9M 292D |
| LPD | 4GID 5ULO 6R57 6R4W 5LGP 6R58 6R5B 5LGR 6R4X 6I2G 6R59 5II0 6R51 6R5C 6R50 2H9E |
| PR9 | 2WRW |
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.