(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: T33
File name: alatis_output_compound.sdf
|
Formula: C15H13I2N1O4 Compound mass: 525.0764999999992 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 |
| T33 | 1THA |
| T3 | 2PIW 1XZX 4ZO1 1SN5 4BVA 1BSX 2H79 2PIV 4LNX 3VKX 4LNW 3GWS 3UVV 2H77 |
| T44 | 1HK1 5MHE 1HK2 1HK3 3Q1E 2XN6 2RIW 2XN7 1ETB 2CEO 1HK5 1IE4 4X30 1ETA 1F86 3OZK 1SN0 1HK4 1ICT 2ROX 1Y0X 5CR1 4LNX |
| T2B | 3WGW |
| IYR | 2D98 5V7F 3TNZ 4TVC 1XXZ 2ZP1 2D8W 2D97 1XY9 2ZXV 4EBK 1WQ3 4TTC 5KO8 5EMS 3VN3 2R1Q 4TVD 1CF0 4TTU 2Z10 4IKM 5EHB 6JQA 3GFD 2D8P 2Z11 2D8O 6D0Y |
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.