(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: V56
File name: alatis_output_compound.sdf
|
Formula: C24Cl1H36N3O5 Compound mass: 482.01130000000006 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 |
| V56 | 5TG1 |
| 1KR | 4J70 |
| 3TL | 4TVH 3KFS 3KFR 3KF0 1B11 4K4Q 2AZC 2AZB 2AZ8 5VCK 5FIV 6FIV 2P3A 3TLH 5W5W 3KFN 2P3C 2AZ9 3SLZ 4K4P 4K4R 2P3D 2P3B 3KFP 5VEA 2HAH |
| 2L0 | 4NO9 |
| ZIL | 4U0G |
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.