(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CFT
File name: alatis_output_compound.sdf
|
Formula: C1F3H1 Compound mass: 70.0138 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 |
| CFT | 1NKK 1NJT |
| CF0 | 4DM9 1JXQ 3QNW 5D61 2H6M 2H54 2H48 2H4W 3V4L 2HBQ 2H9H 1CP3 3D6M 3D6F 5D63 5D62 2HBR 3V4O 3D6H 2HAL 2H4Y 2HBY 2F4O 2HBZ 2H51 1X3Z |
| ETF | 2HCY 1RJW 1YL1 2FOH 1P2S 4OYT 1AXG 4W6Z 5KJF 5F9F 5ENV 6OWP 1SBY 1A71 3EV4 1AXE 4NFS 4DXH 5KCZ 2FOG 3RS2 3D71 4NXY 6OA7 2NUD 6BCR 5C1K 5NLJ 4J6A 5NLI |
| F | 2UVN 2WSL 6QDY 5FXB 5NAI 6D0J 4Q3K 6JIM 6B2D 5K91 2AU9 6BX5 5KOM 4KKL 4F60 4X30 6BX4 4KK8 6B24 1LH5 6BQO 4X00 1T5G 2Q9P 1E6A 5VEJ 6D0K 5A41 2AKZ 5XD5 5XB2 5NKQ 2DQZ 2WVG 5EVC 6B2B 6RIL 6B2A 5A43 4JB4 2XMC 3SSV 2HAW 4KJQ 3MBA 2QFP 4EN5 2Z5Z 2AUU 6RII 6RIK 4GOA 3VRS 6L3Z 6EVH 6RI6 4ENB 6HOO 2LH5 3PPM 1BS3 5KBN 4CEX 2AU6 6RI8 6A24 3HQ2 6RI4 4ENC 4ENA 6D0N 1NEL |
| FLO |
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.