(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DBQ
File name: alatis_output_compound.sdf
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Formula: C11H11N5O2 Compound mass: 245.23690000000008 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 |
| DBQ | 1Z57 2C3J 2CN8 1U4D |
| HYM | 1ZLT |
| 4M9 | 4ZFS 4ZBL |
| CRF | 6QQB 6QQ9 2YDZ 6QQA 5DRF 6GEZ 5DQM 4RYW 2WSO 6QQ8 3LA1 4RTC 1OXD 5J2O 3GEX 4RYS 3I19 5DRG 6GEL 4AS8 5T3I 4H48 5DQB 2Q57 2WSN 4H47 1OXE 1CV7 |
| NYC | 1OXE 2Q57 1OXD |
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:
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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.