(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 16D
File name: alatis_output_compound.sdf
|
Formula: C6H16N2 Compound mass: 116.2040000000001 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 |
| 16D | 3NIP 1WOG 4BGK 4BG1 4C5W 4BHI 4BHF 2QK9 4BHG 4BGM |
| HAI | 1EJD 1NAW 2HHJ 6IAU 6O65 4XC1 1DLG 2H52 5PA8 |
| 297 | 3BI2 |
| DIA | 3BI5 1H83 3WWX 2XMF |
| FKZ | 6H3E |
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.