(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: XCF
File name: alatis_output_compound.sdf
|
Formula: C19H22N4O3 Compound mass: 354.4021 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 |
| I2H | 3FRA 3FY8 3FYW |
| XCF | 3FYV 3FRF 3FY8 3FY9 3FYW |
| TRR | 1YHO 1LUD 2HM9 |
| TOP | 3JW5 3N0H 3FRE 1DG5 3FL9 2W9G 4G8Z 4KM2 3TQ8 3S3V 2W9S 2W3A 3JW3 1DYR 2W9H 2W3V 4XT7 2BFM 3FRB |
| MUJ | 4AT5 |
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.