(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: UC9
File name: alatis_output_compound.sdf
|
Formula: C24H22N4O4 Compound mass: 430.455 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.06
List of identified carbohydrate fragments:
-
C2
Fragment probability: 0.00
Fragment mass: 49.0507
Fragment main chain atoms: [4, 9]
Fragment all atoms: [4, 9]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| UC9 | 5JG0 |
| 14Q | 4H96 4H98 |
| U75 | 6DDS 5HF2 |
| G6Y | 6DDP 6DE4 |
| 5N1 | 5ECX |
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.