(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HMR
File name: alatis_output_compound.sdf
|
Formula: C7H16N4O2 Compound mass: 188.22690000000011 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 |
| HMR | 3F86 3F87 3HET 3HEV 3O42 3HEW 4DZV 3HEU 3HEX 1NRQ 1ABI 3C3G 3C3H 3HEY 1NRP |
| 0MG | 5FC2 5FC3 1DIT 1TMB |
| 00W | |
| GHS | 3VPK |
| A5R | 1IHT |
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.