(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ZAW
File name: alatis_output_compound.sdf
|
Formula: C11H8N2O1 Compound mass: 184.19370000000006 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 |
| ZAW | 4NT3 |
| PBO | 1PYJ 3GYH |
| MYT | 4ZF8 6MA6 1PHG 1W0G |
| NCA | 4A3U 6IN7 2HJH 1ISM 3ROZ 3ZJQ 1YC2 3O94 2E5D 4AE1 5CF9 2ZB7 1R15 5NY7 3DZG 3UPW 1ISI 4HYF 2R6V 2Z77 3U9H 3ROP 1YC5 5VW4 4RMJ 5V4V 5YSI 5WQP 1DMA 2QQG 5Z3J 2R9J 2QHF 3NN0 2OTV 5J6H 5N3H 2OD9 3I9J 5VW9 2C8A 4YP2 5VW5 3ROD 5M10 2A15 2H4J |
| NIO | 2WT9 1ICU 1ICV 1JHV 1ICR 3R2J 3HRD 5YF9 2F7F 1JHA 4KQI 1L5K 3WAR 5Y9M 1LH6 3I45 3O14 1L5M 4BN9 2LH6 1JHY 5YWM 1JHR 1JHO 1L4N 6MBV 1FSL 2XRH 1L5L 1D0V 3CI8 1JHQ |
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
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- 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.