(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 691
File name: alatis_output_compound.sdf
|
Formula: C11H10N2O1 Compound mass: 186.20950000000008 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 |
| 691 | 4YRR |
| 4JS | 4YRS |
| PXX | 3FOO 3NMK 3FOP 3NMI 3NMJ |
| P34 | 3GEY 4BJB 4TJW 1XK9 4KXJ 2Q6M 1ZM9 3CE0 3UH2 4UXB 6EDG 5EWK 4FK7 |
| NXJ | 5QRO |
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.