(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ACZ
File name: alatis_output_compound.sdf
|
Formula: C10H16N2O2 Compound mass: 196.2456000000001 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 |
| ACZ | 1MLY |
| TZA | 1MLZ |
| MH8 | 5AGW 5DXG 5AGX |
| EIC | 6CNG 5Z0B 5BVS 4NYQ 3QZK 4LKT 2EVL 6OGH 4NYS 1IGZ 4DQ4 4IA6 2Q9S |
| LNL | 2BYO 1FK6 4E1G |
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.