(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 9PL
File name: alatis_output_compound.sdf
|
Formula: C11H16N2O2 Compound mass: 208.25630000000012 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 |
| 9PL | 3T3S 3T3Z 3T3Q 3T3R |
| 2B8 | 4P10 |
| 720 | 2JEW |
| MHS | 3M2V 3M1V 5N1Q 1HBN 3M2U 6Q7Q 5A8R 5A8W 6Q7R 5G0R 3M32 4PK0 3POT 5N28 1E6Y 6G5B 6G5A 6Q7O 1HBM 1MRO 5A0Y 6F1A 1HBO 3SQG 5OJB 6F18 5L86 5A8K 5N2A 1HBU 3M30 3M2R 6F19 5OJC 5V2C 6F17 6Q7P 5OJ9 |
| PVH | 4E1O 1IBW 1IBV |
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.