(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AXJ
File name: alatis_output_compound.sdf
|
Formula: C15H25N1O1 Compound mass: 235.36410000000012 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 |
| AXJ | 5Q1U |
| VDM | 5HVM 5HVL 5HVO 5Z66 2JF4 |
| OEV | 3D50 |
| N8V | 3WEZ |
| LYR | 5AZD 2M3G 2L6X 4XTN 5UK6 2KSY 6EID 4XTO 5VN7 5ZIH 5JSI 6RF3 4XXJ 6EDQ 4PXK 4MD2 5JRF 2J4Y 6EIG 4XTL 5VN9 4MD1 |
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.