(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: OHD
File name: alatis_output_compound.sdf
|
Formula: C14Cl1H14N3O4 Compound mass: 323.73109999999997 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 |
| OHD | 6PFT 6PFS 6PFR 6PFU |
| AYG | 2OTE 2OTB 2HQK |
| PIA | 5DU0 6GRM 2JAD 6GO8 1H6R 6AS9 2HQK 4Q9W 5O8A 5DTZ 5HBD 2OTB 6FP7 5HGE 4Q9X 5O8B 5DTY 4R6D 2OTE 6FP8 5O8C 5HW9 5DTX 6GQH 6GO9 5O89 6GQG |
| KZ7 | 6NQL |
| 4NT | 4ZF4 6OFL |
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.