(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 011
File name: alatis_output_compound.sdf
|
Formula: C7H15N1O2 Compound mass: 145.1989000000001 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 |
| 8AC | 3MLE 3V0R 3QXX 3QXH |
| DOA | 2DCX 1H8T 1EOJ 1EOL |
| 011 | 3N84 4ZE6 6AYN 5ID0 6AZK 3N7Y |
| KAP | 4A0H 3DU4 1QJ3 4CXQ 3FMI 4MQN |
| AMH | 1B2I 1CEB 6NMB 5V3C |
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.