(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CAQ
File name: alatis_output_compound.sdf
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Formula: C6H6O2 Compound mass: 110.11040000000003 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 |
| CAQ | 1XEP 2BUQ 3FW4 5KBI 3T67 1DLT 4QON 3MI5 4K7I 5VXT 1KND 5G4H 3HHY 2BUY 3O4M 4OOW 4ZXT 2PUM 5SWG |
| D48 | 6FBA |
| D1N | 2EI1 |
| IPH | 2WS7 1AI0 1AIY 3ROV 5UQA 2AIY 5HRQ 5JS1 5KI6 4EI1 1LI2 4Z4E 4W5O 4P65 2PZV 4OLA 5T7B 3AIY 2WS6 1W8P 4Z4C 4W5R 5EMS 5UU3 4Z4I 2OMB 4AJZ 1XDA 5URU 2J9N 1QIY 3ZQR 5BQQ 1XW7 1ZNJ 1FOH 1WAV 4W5N 5KBE 6MFR 5UDP 1ZEG 3V1G 3P33 4Z4F 5W3R 1JHY 3GUO 4Z4G 4W5Q 4W5T 4Z4H 4AIY 4H07 2AS3 5FRW 1PN0 5ILG 3ZS2 1V03 1FJW 4A71 5USS 6MDZ 3KQ6 6TYH 1XU5 5JS2 3Q3O 3V19 3NX8 6Q7S 4AKJ 5HPU 4JMW 5AIY 2VE7 4HDS 4Z4D 3P2X 5UU4 3GKY 5NQ8 4I7L 1AI7 3KMH 1MPJ 4F3T 1LPH 1Q4V 6MFN 6CK2 1JHX 3F39 3U3E 3NC0 2OLD 1RWE 3JSD 2OMN 5WEA 3OBD |
| PYG | 4V4D 1TI4 4QOM 3HHX 1VLE 3O6R |
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.