(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 11S
File name: alatis_output_compound.sdf
|
Formula: C8Cl1H6N1 Compound mass: 151.59270000000004 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 |
| 11S | 3FUE |
| IND | 2B24 1L4H 4EAN 2P85 5XDC 4PEN 5LVW 5XDD 1UUV 1O7N 4UUJ 2XVJ 185L 3SNM 3Q8I 1EG9 |
| 9CA | 4NBH 4NBD 4NBA 3VMI 2DE7 3VMG 4NBB |
| 0TU | 4CR5 |
| ISQ | 4XRF 1GDK 6F14 |
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.