(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 47D
File name: alatis_output_compound.sdf
|
Formula: C14Cl1H10N3O4S1 Compound mass: 351.76449999999994 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 |
| 47D | 2PDQ 2PDN 2PDG 2PDH |
| 48I | 4XZH |
| ZST | 2FZ8 2HV5 3M0I 2PDF 2PDI 2DUX 4JII 3MB9 2PDB 2PDX 1MAR 2PD5 2PDM 2DUZ 2HVO 4KYH 1FRB 2HVN 3LEN 2DV0 2FZ9 |
| ZES | 1IEI |
| 2BG | 4CXR 5NGZ 4MQO |
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.