(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PBI
File name: alatis_output_compound.sdf
|
Formula: C13H15N3O3 Compound mass: 261.2759000000001 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 |
| PBI | |
| MDO | 2QVE 2YII 3NZ4 4V2Q 2O7E 2O7B 4BAB 2O6Y 1B8F 4BAA 6RGS 1W27 6H2O 6HQF 3CZO 2O78 2NYN 6AT7 2O7F 6F6T 2RJS 1YJF 4C5S 5LTM 2OHY 4CQ5 1GKJ 1EB4 3KDZ 2O7D 2RJR 4C5R 2NYF 1GKM 3KDY 4V2R |
| CRW | |
| KWS | 4JFG 3UNV |
| QLG | 2IB6 |
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.