(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 5SD
File name: alatis_output_compound.sdf
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Formula: C19H28O2 Compound mass: 288.4233000000001 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 |
| ESR | 1OHP |
| CAM | 1T85 2FEU 1DZ6 3FWF 5CP4 6NBL 1DZ9 3WRK 2QBM 1DZ4 1T86 4L4A 3WRL 4C9P 3FWG 6CP4 4L4C 1O76 2ZAX 4L4D 4EK1 1AKD 2M56 1GEB 4L49 4C9L 4C9N 3WRJ 3WRI 3CPP 3WRH 2A1N 4L4B 1IWJ 3LXI 4JX1 1UYU 2L8M 2ZAW 2A1M 3FWI 2QBL 5IK1 2ZUH 2ZWT 1YRD 3FWJ 1T87 1DZ8 2ZWU 2ZUJ 2Z97 4L4F 4C9O 4KKY 1YRC 5WK9 4C9K 2A1O 2CP4 4CP4 3NV6 3L63 1T88 3WRM 1IWI 2ZUI 2QBO 4L4E 2QBN 2CPP 4G3R 4L4G |
| 5SD | 4XO6 1OHS 1QYW |
| ANO | 1DBK 2O5Z |
| NCM | 7CPP |
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.