(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 6PC
File name: alatis_output_compound.sdf
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Formula: C6H5N1O2 Compound mass: 123.10920000000002 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 |
| 6PC | 4M1E 6O4D 4HSJ 5GJA 4YZZ 5WOL 2OLN 4YIC 3HZL 2OLO |
| PDC | 4IRW 4IH3 5US6 3OJO 2PES 2PC2 3LGR 1ARZ 5TJZ 5TJY 1C3V 2PE7 1P9L 5CQ6 5Z2E 5TEM 5Z2F |
| 4K8 | 4Z02 5C6S |
| QND | |
| QNC | 2FGV 2FGU 1MTB 4JKU |
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.