(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 0G7
File name: alatis_output_compound.sdf
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Formula: C21Cl1H31N6O3 Compound mass: 450.9610000000001 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 |
| 0G7 | 2HPQ 3PMH 1HUT 2FIR 2HPP |
| H37 | 1CVR |
| 0G6 | 1ORF 3F6U 4CH8 1XMN 3P6Z 5CMX 6EVV 5JBA 5EW1 2A1D 6PX5 1Z8I 1SFQ 2THF 1HLT 5JB9 1PPB 1TMU 5LUW 3DD2 5E8E 4LZ1 1ABJ 5EW2 3QLP 4LZ4 1THP 3SBK 4DII 1SHH 5TO3 2A45 1A0H 1NRR 1Z8J 5JBC 6EO6 4RKO 4CH2 2PGQ 2OD3 1HAP 1HAO 1DWE 1PFX 1TQ7 6QF7 4I7Y 1FXY 1HAI 5LUY 6EO7 5DO4 6GN7 4DIH 1AUT 4NFF |
| J3I | 5MNQ |
| 0Q4 | 1EBK 1DW6 1K2C 1K2B 1FFF 6O5X 1BAI 1K1T 1A94 1A8K 6O48 1K1U 1DAZ 1FG8 5KQZ 2AOE |
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.