(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: SPJ
File name: alatis_output_compound.sdf
|
Formula: C12H30N4 Compound mass: 230.39220000000017 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 |
| SPD | 6HIY 1BO4 5J5B 3C6K 5HKV 2QBY 4WFB 4WFA 6I7V 3BXZ 3LS3 5IT8 4WF9 5J7L 6HIV 2HMP 5J91 3TTN 4MHD 4CXM 3WR7 1POY 1TYP 4OGE 5JC9 5HL7 3L1R 3A76 5XDO 3LSA 5J88 4C0Z 4WCE 6HIZ 4FBL 6HIW 3GK7 6B01 4YBB 2PWP 4JDF 5J8A 1U8D 2P1E 3ICE 4OGC 2O07 6DY5 5FOI 6BU5 1I2X 5NRG 2P18 1POT 5JVG 3CN8 6SGC 5XNH 4QF8 293D 4LRO 6BQ7 2YGP 2ELG 6QMM |
| SPJ | 3BNM |
| SR0 | 6BST |
| B5L | 6J26 |
| N4P | 5XNC 6J28 6J27 |
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.