(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DHS
File name: alatis_output_compound.sdf
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Formula: C7H10N1O4 Compound mass: 172.15820000000008 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 |
| DHS | 1QFE 3JS3 1L9W |
| ADH | 1KCK 1DTU 2DIJ 1A47 |
| GBC | 1GBN |
| CMN | |
| ACI | 3OLE 1UA7 4E2O 1V3L 2CXG 1E3Z 1UKQ 1A47 1V3M 3BC9 1UKS 1UH3 1WPC 1UKT 3OLD 3BMW |
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.