(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FCL
File name: alatis_output_compound.sdf
|
Formula: C9Cl1H10N1O2 Compound mass: 199.6338000000001 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 |
| FCL | 1OKW |
| ZCL | 4TSZ 3Q4L 4NB3 5W5S 5W6T |
| 200 | 3Q4K 5VBL 2AKW |
| 3MY | 4EEC 4K3T 5AWV 2XAD 4MFQ 3VFK 3MGB 4PK0 3VFJ 3MG9 2WDX 4MFL 4PJZ 4MFP |
| 3CT | 5D83 6CDH 4WR5 5KP1 6CDN 5V7E 5KP3 5D81 5D82 6MKT |
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.