(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ES7
File name: alatis_output_compound.sdf
|
Formula: C8H9N3 Compound mass: 147.17680000000004 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 |
| ES7 | 3KQT 5QEK |
| GIQ | 2HKC 2Z2H 2Z2G |
| AX7 | 3KQS 3GN1 5PAR 5Z9L 6EQ5 5Z4H 5SWG 5Z4O 5Z9E 5Z9P 5Z9B 5Z9F 5Z9Q |
| 5JE | 5AND |
| 0W8 | 4G28 |
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.