(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DJZ
File name: alatis_output_compound.sdf
|
Formula: C26H29N5O3S1 Compound mass: 491.60400000000004 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 |
| DJZ | 3M8Q |
| JGZ | 3NBP |
| K5A | 6C0L 6CGF 6C0J 6C0K |
| K5C | 6C0P 6C0R 6DUF 6C0O 6DUH 6DUG 6C0N |
| 65B | 3MED 3MEC 3M8P 1SV5 |
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.