(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 96E
File name: alatis_output_compound.sdf
|
Formula: C10H23N1O2 Compound mass: 189.29420000000016 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 |
| 96E | 5NRR |
| M1C | 1QXW |
| 96K | 5NRV |
| GIF | 5T99 5T9G 4CU7 4UFH |
| IFM | 4AD2 4ZOA 4IIC 4CD4 4CD7 3WH8 1OCN 1UP2 4D4D 4RE4 5H41 3QFY 4KTR 4V27 2G9V 2NSX 3GXF 1OCQ 1OIF 4UTF 4AD4 4CD6 |
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.