(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 3W9
File name: alatis_output_compound.sdf
|
Formula: C11H15N1O1 Compound mass: 177.2423000000001 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 |
| 3W9 | 4X0T 4X0U |
| F02 | 4Y3Q 3PBZ |
| TYZ | 3W92 3W8V 1W5K 3W93 5CUG 5PBD 1W5J 2BNI |
| XP1 | 2V6N 2VJ1 |
| BB0 | 3KGM 3SH7 3KGN 3SH9 |
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.