(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 209
File name: alatis_output_compound.sdf
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Formula: C7H9N5O2 Compound mass: 195.17830000000006 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 |
| 209 | 1RS2 |
| TEP | 6ICO 1O15 3KBI 1EHT 2A3A 3ROX 4EOH 5MZJ |
| CFF | 6JIY 6JII 2A3B 6JRS 6JRR 6JHN 5TAN 6JIU 1L7X 1L5Q 5TAV 6ICN 6JI0 3DDW 5TAS 5TA3 5TAP 1GFZ 5T9V 5TAT 5TAM 6ICP 3DDS 5TAU 5TAQ 6QTL 3RFM 4Y4D 5TAL 3DD1 3G6M 1C8L 5MZP |
| MY6 | 3MY6 4I47 4F9N 5KUB |
| 37T | 6ICQ 2EFJ |
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 Open Babel software package is used in the CTPIC source codes.