(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: IRI
File name: alatis_output_compound.sdf
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Formula: H18Ir1N6 Compound mass: 294.3994000000002 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 |
| IRI | 4R0D 4P9R 4GXY 3SD3 5KPY 3OWZ 3DIO 6JQ6 3B31 3SKL 3F2T 6CIH 6D3P 4Y1N 3IRW 4P5J 5T83 4XWF 3D0U 1ICG 6DLR 4QKA 6E80 4ENB 5DE8 3SD1 4XW7 5K7D 2GIS |
| IR3 | 5E2D 4FRG 2B0U 3PK2 4AKM 6GMI 1K26 3ZFR 4F3A 5E1U |
| IR | 5JMG 6ESS 486D 5JML 5HQO 6PMO 5OD5 6E80 6QFW 6ESU 5E2D 5BJP 4OKA 1C1K |
| EMC | 2WCD 6PII 6BZI 1O9L 3LHR 1TLF 3MQI 1RHY 5LF8 6HP1 3WMZ 4IHD 4OFY 5CV3 1CJX 1EUW 1QD9 1X8K 5LU8 1EZJ 6G4H 3ZYT 1EMS 4FJ4 3A0W 1AO7 3LK1 1IRK |
| DCE | 3G4R 1CPH 2O2H 1DPH 1G5F 1BPH 2DHC 1APH |
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.