(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 8IN
File name: alatis_output_compound.sdf
|
Formula: C21H25N2O5P1 Compound mass: 416.40639999999996 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 |
| 8IN | 1DB4 |
| U8D | 5WZW 3U8D |
| 6IN | 1DB5 |
| I3N | 1DCY |
| IMN | 2BXQ 3OGW 3IB1 1Z9H 2BXK 4COX 3ADS 2DM6 4JQ4 2OTH 4YIA 4KYK 4EIX 4IK7 3ADX 4XUM 1S2A 3H1X 2BXM 4IKI 3UGR 3FO7 2ZB8 3UG8 |
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.