(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AHN
File name: alatis_output_compound.sdf
|
Formula: C7H11N3O1 Compound mass: 153.18130000000005 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 |
| AHN | 2AFW 3TW1 3PB8 |
| HJD | 6DYR |
| 9DK | 5NX2 |
| HSM | 2X45 3BU1 1QFT 6FU4 1JQD 1NP1 1U18 1AVN 1QFV 3RXH 2QEB 1KAR 3G7X 4XMF 1IKE 6DYN |
| 8V0 | 5YF1 |
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 custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.