(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 3CT
File name: alatis_output_compound.sdf
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Formula: C9Cl1H10N1O3 Compound mass: 215.6332000000001 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 |
| 3MY | 4EEC 4K3T 5AWV 2XAD 4MFQ 3VFK 3MGB 4PK0 3VFJ 3MG9 2WDX 4MFL 4PJZ 4MFP |
| 3CT | 5D83 6CDH 4WR5 5KP1 6CDN 5V7E 5KP3 5D81 5D82 6MKT |
| 2LT | 4NXE 4NXF 4NX2 4NXG 6MMD 6BPX 6BPW 4NXB |
| CNT | 1OKX |
| OMY | 1FVM 1HHZ 1GAC 3MG9 3RUL 3MGB 4K3T 1GHG 1C0R 1RRV 1GO6 1PN3 4MFL 4PJZ 2XAD 5AWV 1QD8 5M2H 1HHY 2WDX 1AA5 1HHU 5M2K 4MFP 1SHO 4MFQ 1C0Q 1PNV 3RUN 4EEC 4PK0 |
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.