(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: XY5
File name: alatis_output_compound.sdf
|
Formula: C16H16N4O1 Compound mass: 280.3238 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 |
| XY5 | 6IAM |
| EBW | 1E3Q 6O52 6O50 |
| OMI | 5IH7 |
| MHU | 2Z2P 4TOO 4PEB 4U1V 4TP9 4U1U 4TPB 4TPF 4U26 1YJW 1SM1 4U27 4TPD 4TOM 4PEC |
| MRE | 3KEG 2V9C |
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.