(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TCF
File name: alatis_output_compound.sdf
|
Formula: Br1C9H10N1O1 Compound mass: 228.08540000000005 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 |
| TCF | 2XAF 2XAG |
| SGI | 2R9K |
| DQZ | 6FLI |
| NFA | 1XAE 2VVJ 2EFX 4YJX 2GW4 2BTJ 2OGR 1QA7 4HQC 3QW5 5Y8Q 6GP1 5Y8R 6GP0 3U0K 3LF3 2A4O |
| 4BF | 4KVV 4E0M 4E0O 3Q9I 5II0 4P6J 4P6K 5IOP 4KVU 4IVH 3NI3 4E0N 3T4G 5KI3 2AG6 5KI8 3Q9G |
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.