(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HI6
File name: alatis_output_compound.sdf
|
Formula: C14H16N4O3 Compound mass: 288.30120000000005 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 |
| HI6 | 5FPP 2WHQ 6CQY 2GYU 6CQV 6CQW 6CQU 3ZLV 2WHP 2WU3 5HF9 |
| HLO | 2JEY 2JEZ 6NEA |
| HBP | 2GYV 2WU4 5BWC 2JF0 |
| OBI | 2GYW |
| LND | 6O66 6O5S 6O5R 6O5V |
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
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- 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.