(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TL
File name: alatis_output_compound.sdf
|
Formula: Tl1 Compound mass: 204.3833 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 |
| TL | 2HBN 4WFH 2YNJ 3E76 3OXM 5AW1 2BOC 3DJ2 2OIH 1F1H 4WFG 1LQO 1NV5 1S47 1Z5T 5AW3 1NV7 5AVT 4P1A 1NV3 1FPJ 1S45 4E8Q 1FPL 5AVY 3JXC 1JGR 1KD3 5AVX 5AVV 1NV1 4EN5 5AVW 1R3K 3GGI 2DWD 5AW2 1NV2 1NV6 2OJ3 1FPK 2BOB 4P6H 4CZA 1R3J 6DLS 1NV4 5AVQ 5AVZ 1P20 5AVR 5AVS 5AW0 5AVU 6DME 1NV0 |
| 7BZ | 5THM |
| BNZ | 227L 2YKY 1CP4 1A7Z 1XXJ 4I7J 3GUJ 223L 220L 3HH4 1SWI 4W52 3DMX 181L 1L83 2Z9G 5JWT 1L84 |
| NPY | 1O7G 6EKW 5VKF |
| AN3 | 2HMM 2HMN |
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.