(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: LDT
File name: alatis_output_compound.sdf
|
Formula: Br1C16F2H12N1O3S1 Compound mass: 416.2367 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 |
| LDT | 2R24 3LQL 3LBO 3LZ5 3GHU 3ONC 2I17 2QXW 2PF8 3LD5 3GHS 1US0 2PFH 2PEV 3GHR 2I16 3ONB 3GHT |
| 2YZ | 4Q7B |
| 388 | 3M4H 3LEP 5LIU 2IKI 3LQG 3LZ3 |
| 4O8 | 4LBS |
| 2WQ | 4PUW |
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.