(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 140
File name: alatis_output_compound.sdf
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Formula: C18H35N1O3 Compound mass: 313.4740000000001 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 |
| 140 | 3CBD 1ZOA 3KX3 4KPA 1JPZ 5JQ2 5DYZ |
| REZ | 2J9P 2VGK |
| 4N3 | 2N5Y 2N5W |
| GCH | 2MM3 5Y7P 2LFO 1EIO 2B00 |
| CHO | 6H6L 2LFO 2LBA 2MM3 6P4J 6E47 6GW1 6H6M 6GW4 1AHI 6GVZ 1FMC 2B04 |
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.