(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TOX
File name: alatis_output_compound.sdf
|
Formula: C11H12N2O4 Compound mass: 236.22350000000012 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 |
| TOX | 4QZP 5SYH 5SYX 5SYY 5KQ0 5KQ3 5KQI 4KA5 4QZL 5KQK 4QZO 5KQ6 5SXW 5SXR 5SX6 5SYU 5SW4 6B9B 3N3O 5SYV 5TXQ 6CC6 5SX7 5V4O 5KQN 5WHS 5KQ2 5SX2 3N3R 5KT9 5KQQ 4QZN 2FXJ 2DV2 5SYK 5SYW 5KQH 5SW5 5KSK 5KT8 5L02 3UT2 4QZK 6CAW 4MVP 6CEK |
| TRP | |
| TRP_LFOH | |
| TRP_LEO2H | |
| TRP_LEO2 |
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.