| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
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Home Process a structure file Publication files: |
Submission ID: BDE
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Formula: Br2C13H9N3O3 Compound mass: 415.03650000000005 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C2H1N2O1
Fragment probability: 0.25
Fragment mass: 78.072
Fragment main chain atoms: [6, 17, 18, 13]
Fragment all atoms: [6, 27, 17, 18, 13, 21]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| BDE | 2GLP |
| H06 | 3A88 3A89 3A81 3A83 3A87 |
| 2BC | 3DP0 |
| 3BE | 3DOZ |
| 4BE | 3DP2 |