(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: A1G
File name: alatis_output_compound.sdf
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Formula: C12H19N1O2 Compound mass: 209.28400000000013 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 |
| CHG | 6DR5 8KME 4THN 5GDS 7KME 3UW5 3UW4 |
| ZAL | 6C1R 1EB1 6C1Q 1HBT |
| BW5 | 5OK3 |
| 02K | 4TL1 4P9Z 3S8O 4P9V |
| ALC | 4TSZ 4P65 3DPQ 3DPO 1XRZ 4HY9 3Q4K 3AVZ 6FVM 6FVN 3ATW 1D6E 6FVO 6FVL 1YWH 5GDS 2A2X 1THS 1D5X 2ANK 1HBT 2FEQ 5BMM 5Y7W 4THN 4HYB 3Q4L 3U51 3DPP 1D5Z 1O0D 3U4W 2FES 1QUR 1NZQ 5VBL 1D5M 1B3H |
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.