(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: SET
File name: alatis_output_compound.sdf
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Formula: C3H8N2O2 Compound mass: 104.10750000000004 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 |
| SET | 1JAA 1JC8 1JCP 3TWS 1JD8 3TWX 1D5H 3P9Y 3TWR 3TWV 3TWT 1D5E 3TWW 1D5D |
| 9AT | 6FHU 2Y8T |
| 2RA | 3PZB 3PYL 4OIR 4OIP 4OIN 4MQ9 3ANV 4OIQ |
| DNP | 1BEI 5O0Z 5GS4 4AY6 |
| DPP | 5CGH 3KNH 6ECD 3KNN 4V9P 1JD8 4V7M 5GTR 4KJ6 4V85 3J5X 4KBT 5CGG 6ECF 4KJ0 6S5S 4V7C 4V9O 4XN7 4V9L 3KNL 4V9J 1B5H 5V93 4V9K 4KJ8 4KIY 4KD0 6S5R 3J5T 4KJ2 4KJ4 4V7L 4KBV 4XMT 4KJA 4V7D 4KCY 6ECE 3SFS 3KNJ 4KDA 4KS6 4KTX 4KD8 |
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.