(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HG8
File name: alatis_output_compound.sdf
|
Formula: C29H38N6O2S1 Compound mass: 534.7144999999988 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 |
| HG8 | 6Q3Z |
| HG5 | 6Q3Y |
| R78 | 4PY6 2RKU 5TCM 4O74 4I5M 6CW0 5VBQ 5C8G 4OGI 6MF9 6BQQ |
| 6TB | 5KJ0 |
| IBI | 5VBR 5V67 3FC2 |
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.