(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 1Y2
File name: alatis_output_compound.sdf
|
Formula: C8F2H13N1O2 Compound mass: 193.1906000000001 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 |
| 1Y2 | |
| H7V | 6DR6 |
| CFS | |
| CHF | |
| MLZ | 4RPU 4L3T 3HNA 3HHL 4DWS 4EDU 6FND 4ICC 5M2F 5LIW 2VYT 2ZZM 2G46 6HBO 6G1Y 4MBO 4XZN 6MTE 4XZM 4XZL 5LIK 6MDX 4TN7 5SVY 4WEV 5JH8 4D1E 5LIX 2PXJ 6QXZ 6MTB 2RHY 1IV8 3OA6 5OYL 1XQH 3M58 3S7D 3CBM 6MYU 4P98 5LIU 2H2J 3OQ5 5EQA 3OHR 4P3Z 3O2R 4IQN 5EQ7 3R6D 5EG2 6R1B 1P0Y 3V0S 2BQZ 4QXH 4NGE 4QWN 4WID 2H6K 6MYP 3H6Z 1O9S 4IUV 3LSO 3E3X 5EUM 5EQ8 1Q3L 6EK0 6H1E 3OEI 2H9N 2F69 5YVX 5SZC 5FQ2 3QDP 3F70 2R5M 6MYQ 3KMT 6MTD 2QNU 3OS5 6IE4 3F9Y 6MYO 3UYI 5M3V 4EE6 5O8W 5LIY 6QZP 6MYS 6MYT 1XER 4IUU 6MTC 2B2V 4P40 4HG1 3M55 2OT7 2R5A 5OY9 3CBO 6MDW |
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.