(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: BMD
File name: alatis_output_compound.sdf
|
Formula: C4H9N1O1 Compound mass: 87.12000000000006 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 |
| BMD | 1QNL 4IZS 1QO0 3PII |
| VLM | 6I5J 2I60 1YYM 2I5Y 6I5N 1YYL |
| VAL_LL | |
| VAL_LSN3 | |
| ROP | 4GYL 4WGF 3ZVI 1I8N 4IZU 5NYE 4IZV |
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.