(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: JI7
File name: alatis_output_compound.sdf
|
Formula: C20Cl1H28N5 Compound mass: 373.9217000000002 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 |
| JI7 | 3DQT 3B3P |
| JI3 | 3B3O 3DQS |
| JI5 | 3JWX 3JX6 3JX1 3JWT 3JX3 |
| J11 | 3JWU 3JWY 3JX4 |
| JI4 | 3JWW 3JX2 3JX0 3JWS |
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.