(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MCQ
File name: alatis_output_compound.sdf
|
Formula: C18H25N3O5S2 Compound mass: 427.5372 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 |
| MCQ | 5FHV |
| CH6 | 5H89 4ZIN 4ZIO 5H88 4KF4 3NED 1XA9 6IR2 3NF0 4OHS 1XQM 3NEZ 2QLG 5H87 6IR1 4KF5 2H5Q 5FHV |
| NRQ | 4NWS 3NT3 3E5W 3U8C 2V4E 2A56 1ZGQ 3BXC 2QLH 3RWA 4OQW 3T6H 3PJB 3NED 5BQL 3LF3 3RWT 3BXB 4PPJ 3U0M 3CFH 5JVA 3NT9 2A54 3E5V 5UKG 3SVS 3SVR 3SVO 3M22 3BX9 3SVN 3E5T 3SVU 4OHS 3PJ7 3NEZ 3CFF 3CFA 3PJ5 3U8A 5YT1 3U0N 3H1O 4EDS 4KGE 3BXA 3PIB 4H3L 4OJ0 4I2Y 2A53 3H1R 5LK4 2A50 3KCT 1UIS 4EDO 2A52 3U0L 4H3M 3IP2 4H3N 4KGF 2QLG 4KPI 2QLI 3KCS |
| 83M | 5UBK |
| CFY | 2ZMW 3MGF 2ZMU |
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 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.