(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: P1L
File name: alatis_output_compound.sdf
|
Formula: C19H37N1O3S1 Compound mass: 359.5655000000001 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 |
| P1L | 5EMV 2CFH 5EMW 6L9F 2J3R 2J3W 2C0J 2J3T |
| CY4 | 1M4T |
| GT9 | |
| SHC | |
| CYG | 1A9X 1CS0 4WXY 3R75 3R76 4LGY 4L78 3UJN 3D54 4MGH 4R7G 1T3T 3UMM |
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.