(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 949
File name: alatis_output_compound.sdf
|
Formula: C18F1H16N1O4S1 Compound mass: 361.38669999999996 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 |
| 949 | 5GMM 5GMN |
| 1YL | 4M0E |
| SLO | 3RX2 |
| SUZ | 2KAW 4JQ2 3R7M 4IKK 4IKJ 4IKL 4WEV 3RX3 3U2C |
| M29 | 2NN7 2NNV |
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.