(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 3SK
File name: alatis_output_compound.sdf
|
Formula: C8H8O2 Compound mass: 136.14760000000004 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 |
| 3SK | 4RLF 4RLQ |
| PHT | 6G74 2B7P 3C2R 4KWW 1QPR 4R51 5PH8 3C2V |
| BOX | |
| BEZ | 1GXS 1W9O 1YAJ 5E4D 3TGV 5DZK 2V7B 2DU8 4ZGF 2RHM 3R76 6QL3 1HZ4 2AJY 1ONI 4ZJZ 6N35 5EWZ 1W9E 3R75 5M35 3R9T 5LAK 5YOD 1KIF 3S46 3GV1 1I7Q 2M9Q 2Q38 1VE9 2Q0I 3HGI 1S9A 5HWK 1OC3 1RED 1A8U 1UKB 2F78 2M9P 2F8D 1DJR 5EXA 6CB4 4ZVC 3U1I 1RU9 1S8F 1KQB 6E43 5WP1 1HKQ 4UTX 2Q0J 2QL8 2V41 5FXF 6EF6 5TJZ 1RUK 2V32 4UTV 1UUJ 1HD2 6QGB 2O02 3R9S 5TJY 6FNC 5JIT 4UUB 6FNA 6DHB 1TMX 2Q1B 5XFI 6FNB 5JM4 1H4O 1RUP 5ZZS 5M36 6FN9 5N4T 6A0Y 2V2G 5J31 4UU8 5U4S 5DNU 2QMQ 6Q38 4F5Z 5IM2 5JIV 2AK1 1GYX 1JU4 1NCW 5M37 3IT4 6P2E 1V1T 2VL2 6Q4Q 6OS5 3F8E 4EAT 1RUM 6A1L 1URM 4XDQ 1I69 5EWU 6AWV 1RUA 1OP3 3CCF 3V1N 2OK6 5DQY 5MSD 2FP7 4UTN 4UUA 4EVR 2Q9R 3TX2 2VJ1 1RUL 4UU7 2F7A 4UTZ 3FFP 4OU1 5EM1 4MF6 3O9M 1REE 3FBW 1REF 5JOS 6AWT 4IJI 4UTR 1L7Q 6OS6 4M51 4HZ2 3RHG 6OTL 5DNV 1W9Q 3V7P 2Q6U 1WSP 4PBH 3IEO |
| NDD | 1HAC 1U4O |
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
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- 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.