(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 85J
File name: alatis_output_compound.sdf
|
Formula: C8H16N2O3 Compound mass: 188.22360000000012 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 |
| 85J | 5U66 |
| 85G | 5U66 |
| ORQ | 2FX9 |
| MEQ | 6C5L 3GN5 6I7V 5J30 5J7L 6C4H 1NV8 4ACQ 5J5B 6C4I 5U4I 4U59 5J88 5CZP 4YBB 5MDV 5IT8 5JC9 5J91 3FMY 5J8A 5KCR 6U48 |
| QMM | 2H6M 2H9H |
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.