(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ZNP
File name: alatis_output_compound.sdf
|
Formula: C10H12N2O3 Compound mass: 208.2134000000001 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 |
| ZNP | 3FOR |
| 23N | 2RFH |
| NFA | 1XAE 2VVJ 2EFX 4YJX 2GW4 2BTJ 2OGR 1QA7 4HQC 3QW5 5Y8Q 6GP1 5Y8R 6GP0 3U0K 3LF3 2A4O |
| NAM | |
| 8SQ | 5NC6 |
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.