(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NPU
File name: alatis_output_compound.sdf
|
Formula: C9H13N1O1 Compound mass: 151.20510000000007 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 |
| NPU | 3U8Q |
| PHL | 1KDY 1IH9 2M1F 1GTL 4Y8O 5MAS 1R9U 1DLZ 6M8Y 1AMT 1GQ0 4Y77 4Y75 1OB6 1SIO 3SGA 1JOH 1OB7 1KDV 1GTJ 4G14 4BY8 6M8W 6M9D 1OB4 4G13 |
| PDH | |
| HPH | 1DLK 1MTB 2FGV 1PJP 2FGU 5YRS 3MIM |
| TPH |
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.