(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 7DP
File name: alatis_output_compound.sdf
|
Formula: C10H13N1O3 Compound mass: 195.2146000000001 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 |
| 7DP | 5GIG 5GI8 |
| HJ1 | 6DYS |
| AWY | 6ME5 5Q1S |
| 54W | 5CUC 5GIH 5GI7 5GII |
| LDP | 5PHH 5LOG 4DUB 2VQ5 3NK2 4A7V 2A3R 4XP1 4DU2 6DYO 4DTZ 2QMZ 5PAH |
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.