(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 97V
File name: alatis_output_compound.sdf
|
Formula: C29H31N7O4S1 Compound mass: 573.6646999999983 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 |
| 97V | 5XF1 5VEX 5XEZ |
| CJK | 6F3B |
| F2H | 6GJW |
| SVR | 3BJW 4J4V 1Y8E 3UR0 1Y4L 2NYR 6CE2 3GAN 3PP7 4YV5 4X3U 3BF6 2H9T |
| 2KG | 4NMH |
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.