(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 82F
File name: alatis_output_compound.sdf
|
Formula: C27H38N6O2 Compound mass: 478.62810000000013 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 |
| 82F | 5ZKB |
| 19V | 4HX5 |
| ZTX | 3ZTX |
| NVP | 2HND 1LW0 3HVT 3LP0 3LP1 1S1U 1S1X 4PWD 4Q0B 3QIP 1FKP 1LWF 3V81 4PUO 1JLF 1LWE 5HBM 1LWC 2HNY 4B3Q 1VRT 1JLB |
| NEV |
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.