(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 2TY
File name: alatis_output_compound.sdf
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Formula: C17H18N2O4 Compound mass: 314.3351 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 |
| 2TY | 5ZPK 5ZPM 2CWV 3X40 5ZPL 3X41 5ZPJ 3AMO |
| TYQ | 5ZPA 5ZPO 5ZPG 4EV2 5ZP9 5ZP5 5ZPS 5ZPR 5ZPQ 3X3Z 5ZPF 5ZOX 4EV5 5ZP0 5ZP3 5ZPB 5ZOU 5ZOZ 5ZPI 1D6U 5ZP6 3X3X 5ZPT 5ZP7 1D6Y 5ZP1 5ZPD 5ZPC 5ZOY 5ZPP 5ZP4 5ZP2 3X3Y 5ZPN 5ZPE 5ZOW 5ZPH 5ZP8 |
| TY2 | 2XO4 3MBB 2XO5 2VH3 |
| OTY | 5FEX 2E2T 2E2U 5FEP 3IIX 5FF3 2E2V 4JYD 4JYF 4JYE 3IIZ 3CIW 5FES |
| NIY | 2H5U 2XAX 3ROL 4NDA 4BTZ 4B9R 4HHG 2XAY 2XAP 1SDA 2ADP 5AMC 2XAW 2XOF 3DIV 4HHW 2XAZ 1K4Q 2XAK 2XAV 4HIP 6CN8 |
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.