(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 369
File name: alatis_output_compound.sdf
|
Formula: C23H18O4 Compound mass: 358.3858999999999 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 |
| 369 | 3DT3 |
| 8WB | 5NFZ 5NG1 |
| BPY | 2EI3 1KW9 1KW6 1KWC 5XTG 1EIR 1KMY 3ZV5 1KW8 |
| JPA | 2FOI |
| DDJ | 3VLJ |
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.