(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: IMW
File name: alatis_output_compound.sdf
|
Formula: C10H12O2 Compound mass: 164.2006000000001 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 |
| IMW | 4H70 4HCO 3MQ8 |
| DQN | 1DXO 1QRD |
| 1XH | 4P0W |
| PQ9 | 2AXT 3A0H 3A0B |
| PL9 | 4V62 4IXQ 1S5L 6DHP 3BZ1 6JLM 4IXR 4FBY 3PRQ 5ZZN 5V2C 5E79 6JLJ 1W5C 3WU2 5WS5 4PJ0 5GTI 4TNH 6J40 5WS6 5H2F 5TIS 5XNM 4V82 4TNK 5GTH 3KZI 5MX2 6DHH 6JLL 6JLN 6DHG 6DHF 4UB6 5E7C 5KAF 6DHE 6J3Z 6JLK 4RVY 5KAI 6JLP 3BZ2 4TNJ 4TNI 5B5E 4IL6 1ILX 4UB8 6JLU 6DHO 6JLO 5XNL 6J3Y 6KAD 6KAF 3PRR 5B66 3ARC 4YUU 3JCU 4Q54 6RQF 4PBU 1VF5 6KAC |
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.