(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PHQ
File name: alatis_output_compound.sdf
|
Formula: C8Cl1H7O2 Compound mass: 170.59270000000006 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 |
| PHQ | 4DM9 2KID 3VB5 5B6G 1JXQ 1QDU 3S3J 5XA3 1F9E 4INH 2H51 2XDW 2MX6 5FGH 4AWB 4HVA 1TG1 2H48 2H4Y 4P9V 5D63 2F4O 1KJO 5YYF 3QNW 5YZD 3S3S 5XHS 4LFD 2C2M 2CNL 3D6F 5D62 1DLK 2H4W 5D61 2CNN 2C2Z 2C2O 1SQZ 2G58 2C1E 1KJP 2HBZ 3D6M 5IZ6 3V4L 2CNK 4IMQ 4IMZ 2CDR 1KKK 2H54 3S3P 2C2K 2HBR 5Z8H 1KR6 2HBQ 1KS7 2HBY 5PAD 1KTO 1KRO 3D6H 3V4O 3G8F 2CJY 1GEC 5LF6 1KL6 |
| BZO | |
| CBZ | |
| J0Z | 3HUK |
| BGG | 2XDW |
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.