(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 55R
File name: alatis_output_compound.sdf
|
Formula: C13H10N2O3 Compound mass: 242.22970000000007 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 |
| 55R | 5CHK |
| BLQ | 3LT5 |
| YPZ | 2E2T |
| 951 | 3KVM |
| BE2 | 1F8S 1E8N 6B35 6S07 3H78 1ZYK 6B34 1ZFP 1AN9 6ANN 4X5E 1C0I 4YI7 2YR6 2GVQ 2E4A 2JB3 4OWV 4X5D 6ANM 2HU8 5FJN 3T44 |
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.