(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ANB
File name: alatis_output_compound.sdf
|
Formula: C19H24O2 Compound mass: 284.39170000000007 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 |
| ANB | 4C3Y 1H62 |
| 1XH | 4P0W |
| EXM | 3S7S |
| ASD | 3CAS 4XO7 2VCV 2VCT 5JL9 4JBT 1EUP 3EQM 3NUV 5JL7 3IW1 3NHX 4QDC 3S79 3NBR 3UZZ 5JKV 5JL6 4AT2 1QYX 4KQ8 4QCK 1XF0 |
| K2B | 3SN5 2YOO 2X5W |
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.