(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NMU
File name: alatis_output_compound.sdf
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Formula: C2H6N2O1 Compound mass: 74.08160000000004 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 |
| NMU | 2PJO 3MSN |
| MMU | 3K3G |
| DMF | 6HTT 6GXU 3H6I 5ZA1 6HU2 6HSF 6HU1 6HSH 3H6F 6HU3 5UUD 6HTH 6GXA 3MI0 6GXW 6A7B 3HFA 6HU0 6HRQ 1THN 3V35 6D5O 3RS5 6HTG 6HSG 6HTZ 4BZ6 6OCZ 4CQF 4W94 4J65 6HT8 7EST 6OCW 4BZ9 4P0H 6EST 4HP2 5FUE 2FOC 1APW 3EUZ 4ABI 3RCG 1PPK 1APV 4ABJ 1OC7 4W96 6GX3 |
| C5J | 6AZQ |
| URE | 4EV8 4EVT 3TPP 3TPJ 5I4Y 2OMG 2OLY 5I4X 4EVP 2Q8V 5AUN 5I53 6NFP 3MFF 1DDR 2OM0 4EVA 3UQU 3EP5 1XR9 6EWN 5ULP 4U4M 1EP5 4EV9 4GY3 3UQX 4QG3 3P06 1HQG 3BCT 5II0 5I54 1BV3 2F56 4FR8 2OMH 5NI9 5APW 3UMV 5NXF 4FQF 2XLA 4GXE 1XDQ 3ZYR 4FCO 2F30 4TPU 4OMX 6DHC 6FEJ 5V0N 4FGX 2I1J 2XL7 3RPW 3NLS 2YHC 5APU 2R2X 1XR8 5NIG 3UB6 3MSF 3VA7 4YV8 6QDY 2J8X 3L4P 4CE8 2I1K |
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.