(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 845
File name: alatis_output_compound.sdf
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Formula: C24F3H22N7O2 Compound mass: 497.4715000000001 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 |
| 845 | 2Y1X |
| 49W | 4YA8 |
| PFG | 2BBQ |
| 3TU | 3NU0 |
| CB3 | 1BQ1 3DL6 1AIQ 5T0L 1QZF 2AAZ 2OIP 1CI7 1KCE 6NNR 2G8O 1VZD 1KZJ 1LCA 6AOG 4KNZ 2FTO 1DNA 1AN5 6CDZ 1TVV 1DDU 2TSC 3DL5 4EIL 1ZPR 2BFA 3HJ3 1FWM 1TDU 6N1T 4ECK 4GEV 4IW5 6AOH 6N1S 1NCE 6AOI 2G8M 1TVW 1TRG 1TVU 1VZE |
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.