(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 37T
File name: alatis_output_compound.sdf
|
Formula: C7H8N4O2 Compound mass: 180.16370000000006 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 |
| 37T | 6ICQ 2EFJ |
| CFF | 6JIY 6JII 2A3B 6JRS 6JRR 6JHN 5TAN 6JIU 1L7X 1L5Q 5TAV 6ICN 6JI0 3DDW 5TAS 5TA3 5TAP 1GFZ 5T9V 5TAT 5TAM 6ICP 3DDS 5TAU 5TAQ 6QTL 3RFM 4Y4D 5TAL 3DD1 3G6M 1C8L 5MZP |
| TEP | 6ICO 1O15 3KBI 1EHT 2A3A 3ROX 4EOH 5MZJ |
| MUA | 5AYJ 4CW6 1R4S 4CW3 4CW0 |
| IBM | 3ITU 3JWR 3JAB 2HD1 2YY2 6CPT 1SOJ 3N3Z 1ZKN 3DYS 1RKP 3DY8 3ECN 3QI4 3DYN 2R8Q 1ZKL 3DYL 3DYQ |
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.