(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 4GJ
File name: alatis_output_compound.sdf
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Formula: C8H10N2O2S2 Compound mass: 230.30680000000007 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 |
| 4GJ | 4YT9 |
| CS1 | 2OMA |
| SCH | 4YYR 5DXE 1YAL 6QXH 4O1U 3KFQ 6HYR 5DXG 4O1X 1YPV 3KSE 5EH4 3N5E 3N5G 4YYU 6QYQ 3PF3 5MBM 5NIJ 4YYV 2XZ5 1S01 4LRR 6CBZ 4OU0 4N6N 6O2X 6R2E 4YYS 5MBL 4KPW 4YYQ 5DXB 6PIT 4YYW 4IF7 1FXD 1K72 1AEX |
| D4G | 2FDY |
| 0QL | 4KUF 4ELC |
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.