(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AOQ
File name: alatis_output_compound.sdf
|
Formula: C22Cl1H19O3 Compound mass: 366.83669999999995 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 |
| AOQ | 4PD4 |
| ELI | 2GH5 |
| 0VJ | 4FZB |
| NQ | 2D0E |
| PQN | 6IJO 4RKU 6NWA 4Y28 5ZF0 6JEO 2WSE 2WSF 6PGK 6JO6 6HQB 2PPS 3PCQ 3LW5 1JB0 6IJJ 4XK8 6PFY 6K61 5OY0 1QZV 2WSC 5ZGB 4L6V 6IGZ 5ZJI 5L8R 4KT0 2O01 4FE1 6FOS 5ZGH 1C51 6JO5 |
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.