(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: REP
File name: alatis_output_compound.sdf
|
Formula: C15H8N2O3Re1 Compound mass: 450.44230000000005 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 |
| REP | 2FNW 1JZI 1R1C 3IBO 2I7S |
| REQ | 6MJR 4K9J 6MJS 6MJT 2I7O |
| DW5 | 6F60 |
| RKL | 3QF8 5IU5 3UYB 4LTG 4LTH 5IP8 4LTF 6RNL 5ET2 4YMC 4QIO 3S80 4LTL 3UYA 4LTI 5IWJ 4RE7 3QRN 4LTK 4R8J 4LTJ |
| RTB | 1JZG 1JZF |
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.