(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ME9
File name: alatis_output_compound.sdf
|
Formula: C12H12N2O4 Compound mass: 248.2342000000001 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 |
| ME9 | 3QW0 |
| NEQ | 3V62 3V61 2PUO 4OZT 4US0 1G86 |
| ME7 | 3QVY 3QVZ |
| KCR | 5B78 2NDG 5HJD 5IQL 4YYN 6OIE 5B0Y 4YYK 4YYD 4YYH 5B76 6MIM 5H6Y 5IOK 5HJB 6MIN |
| Q9C | 3Q9C |
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.