(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TCT
File name: alatis_output_compound.sdf
|
Formula: C16Cl1H11O3 Compound mass: 286.7093 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 |
| TCT | 1NNU |
| CH8 | 4ALJ |
| DCN | 2PD4 |
| TCL | 3AM3 4ALI 1QSG 2PD3 5IFL 2B35 3PJE 3GR6 1QG6 1NHG 3NRC 2WYW 2QIO 3P9T 4W9N 3PJD 4NR0 1P45 3OID 3F4B 4M89 5YCS 2O2Y 3AM5 1D7O 6AH9 2O2S 1UH5 3PJF 4ALL 3OIF 1D8A 1C14 |
| 50Q | 4BQG |
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.