(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: BP7
File name: alatis_output_compound.sdf
|
Formula: C12H10O2 Compound mass: 186.20620000000008 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 |
| BP7 | 2EI0 4MMM |
| 4HB | 3ZV6 |
| BPY | 2EI3 1KW9 1KW6 1KWC 5XTG 1EIR 1KMY 3ZV5 1KW8 |
| MCT | 1DMH 1L4G 3FW5 4K7N 2EHZ 3HPY 3HJS 5ZNH |
| CH9 | 5BRT |
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.