(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: BC1
File name: alatis_output_compound.sdf
|
Formula: C19H17N3O3 Compound mass: 335.35589999999996 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 |
| BC1 | 1LO0 |
| DIF | 6HN0 1PXX 2B17 4ZBQ 3CFQ 2WEK 6HN1 3IB0 4Z69 4XTA 1SV9 5U1R 4UBS 3N8Y 1DVX 4OJ4 1NR6 4ZBR 5DBY |
| 73F | 6AFH |
| IAD | 1K3U |
| 73D | 6AFI |
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.