(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ZZ0
File name: alatis_output_compound.sdf
|
Formula: C12Cl1H9N2O2 Compound mass: 248.66470000000007 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 |
| ZZ0 | 2WMD |
| 6J3 | 5L4I 6GNR |
| NFL | 1TD7 2WM3 |
| 46L | 5N3E 5SW3 4Y3S |
| 3NG | 6HMB 6FYV 5O11 6FYP 6KHD 3NGA 6ISJ 6P5S 6K3L 3PE1 6FYL 6KHE 6KHF |
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.