(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: BJF
File name: alatis_output_compound.sdf
|
Formula: C14H25N3O3 Compound mass: 283.36560000000014 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 |
| BJF | 6JC5 |
| XXY | 2FWQ |
| B2H | 5OX9 5OX8 5OXC 5OXB 5OXA |
| C12 | 2DUE 3OSQ 2FZU 2DUH 2DUF 3OSR 2DUG |
| CR8 | 2DDC 4LJD 4IZN 2VVI 5FVG 3TMR 4DXM 4HQ8 1ZUX 4R6B 3S05 5DTL 5FVI 2DDD 4GOB 3P8U 3TMT 4DXN 2VZX 6GP0 4DXQ 6GOZ 4LJB 4HQC 2GW3 5FVF 4LJC 2VVH 4HQ9 6GOY 4OY4 4DXP 4DXO 4P76 |
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.