(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: P2M
File name: alatis_output_compound.sdf
|
Formula: C16H14N2O2S1 Compound mass: 298.35900000000004 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 |
| P2M | 3NJ1 3NJO |
| 9RT | 5OD5 |
| PYV | 3NEF 5ZCU 3NJ1 3NJ0 3OJI 3NMP 3NMH 3NR4 3NEG 3NJO 3NMN 3NMV 3NMT 3NS2 5UR4 |
| BS4 | 3RCF |
| IQU | 2CKE 5M0B |
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
Disclaimer:
- 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.