(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DB8
File name: alatis_output_compound.sdf
|
Formula: C26Cl2H29N5O3 Compound mass: 530.444999999999 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 |
| DB8 | 6FDY 4MXY 5VC3 5I9X 3UE4 5AJQ 5VCY 4MXX 4MXZ 4OTW 4MXO 3SOA 4QMN 6OP9 3ZZ2 |
| D88 | 3ZZ2 |
| XZN | 5VCZ 5VC4 4BC6 |
| 741 | 3F5P |
| HKI | 3W2Q 2JIV |
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.