(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PUT
File name: alatis_output_compound.sdf
|
Formula: C4H12N2 Compound mass: 88.15100000000008 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 |
| PUT | 5J5B 5IT8 5TVF 6F9G 6QMM 5J91 1I7B 4BP1 4YBB 5J88 5J8A 6I7V 5TVM 5J7L 1MSV 1F3T 1A99 5JC9 3TTM 1JL0 5H8L 4UOX 6BM7 3DZ4 3EPB 1I7M 1I72 3DZ6 3H0V 4XRG 2O06 1I7C 3EPA 3DZ5 3DZ2 4TVB 3H0W 3DZ3 3DZ7 1I79 |
| MBA | |
| LEN | 1PE5 1PE8 3LF4 1PE7 |
| DCI | |
| LYT | 1YM2 4LKM |
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.