(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 808
File name: alatis_output_compound.sdf
|
Formula: C18F3H20N1O3S1 Compound mass: 387.4157 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 |
| 808 | 3PMX |
| RNN | 3RNN |
| 7T9 | 2XHD |
| 8SO | 5YBG |
| FWF | 4U1W 4U5E 4U1X 4U5F 4U1Y 4U1O 4U5C 4U1Z 4U23 4U22 4U5B 4U21 4U5D |
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
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- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.