(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NHY
File name: alatis_output_compound.sdf
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Formula: C1H4N2O2 Compound mass: 76.05450000000003 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 |
| NHY | 3UB9 2GEH |
| URE | 4EV8 4EVT 3TPP 3TPJ 5I4Y 2OMG 2OLY 5I4X 4EVP 2Q8V 5AUN 5I53 6NFP 3MFF 1DDR 2OM0 4EVA 3UQU 3EP5 1XR9 6EWN 5ULP 4U4M 1EP5 4EV9 4GY3 3UQX 4QG3 3P06 1HQG 3BCT 5II0 5I54 1BV3 2F56 4FR8 2OMH 5NI9 5APW 3UMV 5NXF 4FQF 2XLA 4GXE 1XDQ 3ZYR 4FCO 2F30 4TPU 4OMX 6DHC 6FEJ 5V0N 4FGX 2I1J 2XL7 3RPW 3NLS 2YHC 5APU 2R2X 1XR8 5NIG 3UB6 3MSF 3VA7 4YV8 6QDY 2J8X 3L4P 4CE8 2I1K |
| HAE | 4H9M 1OS2 3DPF 1UTZ 1E9Y 2OZR 3KEC 3LKA 2OW9 5N5J 4A7B 5N5K 3LIL 1Y93 1AM6 3BA0 2HU6 1FWE 1UTT 3LJG 4UBP 3LIK |
| HGU | 4DQG 1DJ5 |
| ARF | 4M8L 4OMX 2OMG 4QT6 3UB8 4WEB 3K4V 4MHL 3NDU 4NX3 2E2L 4NFP 2OMH 3NDT |
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:
- The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.