(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NC
File name: alatis_output_compound.sdf
|
Formula: C1H5N1 Compound mass: 31.0569 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 |
| NME | 2KVJ 3AXM 4UMN 3AXK 1U7C 1V6D 1APV 2K4G 1DDY 6AAW 2G5Z 3POI 1APW 4BEA |
| 3P8 | 4RO2 |
| NC | |
| PB | 1NBS 5VFG 5GPE 4XJN 2V01 2EX3 1HQJ 5TAO 1N0Y 1TN1 1NA0 1QR7 2O3C 1XXA 1Y95 1ZHY 2XAL 1V0D 4V0O 2FJ9 3T8Y 2G0A 2FP1 1ZHZ 1SYY 3FHH 5B6T 5VFF 2QD5 5XM8 1IW7 3RDL 1TN2 1FJR 5VFE 3EC8 2CH7 5KB0 1E9N 1SN8 2OQ1 1QNV 3TWY 4TKX 3QJK 4PC1 4H7X 2QKL 1HD7 2ANI 6A85 4QW2 1KA4 1ZHW 1AFV |
| KEN | 4HVN 4OMF 4NEL 3KEN |
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.