(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: F6E
File name: alatis_output_compound.sdf
|
Formula: C25H28N4O2 Compound mass: 416.51430000000005 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 |
| F6E | 6GOM |
| BO2 | 4QVV 4QW0 5CZ7 4QWU 4QVW 4QVQ 5L5F 5LF3 4QW1 6HWM 4QVM 5L66 5D0X 6HWD 5BXN 3MG0 4QW3 4QVN 2F16 4QVY 5L5Z 4QVL 4QVP 4FWD 4YPM |
| IH4 | 2BJU |
| 4KZ | 4YPL |
| LA1 | 1XUO |
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.