(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 3LX
File name: alatis_output_compound.sdf
|
Formula: C13H26S1 Compound mass: 214.40950000000015 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 |
| 3LX | 4X3P 4R8M |
| TCM | 8CPP |
| TWT | 1GZP 2Z73 4WW3 1GZQ |
| OCT | 3DSK 2XE5 6GAF 3RIF 2J58 6C93 6GAH 1IEY 1IEK 5B2N 5H2N 5H2J 5B6X 6GA5 6EUQ 6GA3 6GA1 3DSJ 5AWZ 1K9Q 2WJQ 4H13 4FQE 4HYX 6JO0 6GA9 5FP2 3RIA 5H2P 6Q4N 1CWQ 6GAD 5AJI 6GA8 5H2M 1Y5M 6GAB 6Q4O 6GAI 5H2O 6Q4P 6GA2 2YNK 5LDV 1KPL 3A7A 5B6V 5B6Y 3DSI 3RHW 5XDN 5B6W 3RI5 5H2K 6GAG 4I35 5H2H 5XDO 4PR7 6GA7 4DX5 6GA4 5H2L 6GAE 4I7Z 5B34 2WJR 1APM 2GSK 4H44 1RE8 5JMN 6GAA 6GA6 6GAC 2EUK 1JBP 2VDF 1XJI 2EVL 2GFC 3HAS 5B6Z 4OGQ 5T6Q 2EUM 1BRR 5H2I 1SX6 2EVD 1JLU 5B35 |
| MYS | 5HXR 6GA3 5H2M 1JDJ 5B6Y 5HXS 6GAG 5HYA 5H2H 5JDQ 5B6X 5HWY 5H2J 3V5U 5HWX 5JDM 6GAE 6GA9 5HXH 6GAH 4PV1 5JDF 4H13 5B6W 5JDH 5H2L 5H2O 1EVY 5H2K 5JDN 5H2I 5JDG 5HXC 5HXE 4H2Z 4QNC 6GAI 4QND 5B6Z 6GAB 6GA4 4GH0 4I7Z 1EVZ 5JDL 6GA1 5H2P 6GAF 6GAD 6GAA 4OGQ 6GA7 6GA2 5H2N 6GAC 6GA5 5B6V 1KPL 6GA6 4H44 6GA8 |
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 NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.