Logo Cheminformatics Tool for Probabilistic Identification of Carbohydrates
(CTPIC)
v 1.1 (Spring 2020)

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Process a structure file

Publication files:

Submission ID: N2O
File name: alatis_output_compound.sdf

Formula: N2O1
Compound mass: 44.0128
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 IDPDB protein complex ID
N2O3PK3
3PLI
2PPA
4O4Z
3PLM
3PLJ
2IE7
3PKS
2ICQ
4NXC
3SBR
3PLE
3PKU
3PKT
3PLG
3PLH
4NWE
HDZ2NNC
3WA3
1MAE
3QC6
3QC5
2Z18
1MAF
NMO
TFH
NO1UUW
1RQ4
1TWR
1HJT
1ZGN
2G6K
4CJG
6DYK
4GRJ
1SY1
5Y5K
4G3R
4NP1
1X8O
2XWZ
2GHC
4B7H
3RGP
3NQS
6E17
2FRJ
5I6O
4U9K
2PPF
1F24
5OF7
2FC2
2E3A
1XK3
5OFE
6N43
5VZN
2CZ7
2ZPF
1J02
1CMJ
5HLU
2G6L
1XK0
4L21
5JRV
2OFR
4XME
5IQV
1YWB
4YOF
5Y5I
1OZL
2XL6
2FC1
1DP8
2AHJ
3SCF
4Z1V
2PPE
3PXW
1DW2
2XLW
4D4N
1KW8
4L20
2G6J
1SXW
1NNO
5JS5
5JLI
5Y5H
1D6Y
1WOX
2Y1A
4D4X
5JUA
4FYZ
4B7F
5E29
1RQA
5OF8
1FOP
4G51
4CX9
3ABK
5OG6
1SDQ
3A8G
5OGF
5OG4
2O5Q
1RPS
1HZV
3AG3
4TN7
5OFD
1T68
2PPD
3HSO
2O0C
2AT0
5VZQ
3VKS
1CMN
5VZO
2YBM
1BUW
2XLM
5AGF
5I6M
5OG3
2AT5
3WVE
1Y21
5OG5
4N8T
1NPF
2XLV
1YJH
6GEP
2FRK
1ERX
4U9B
3HSP
6BPR
1CL6
1SY3
5VZP
2GHH
1KOI
1SNR
1BLZ
5Y5G
1JDO
1SXX
5LTI
1E85
2XLE
5OCF
2FBZ
1F25
5I6N
1YFX
1FOO
1GDL
2NX0
1X8N
5OCB
2ZPE
5NC0
2ZPB
1F26
1AOQ
1OZW
2CZ6
2XLO
1P3U
5OF6
6J87
5Y5F
5JRA
2AT8
1UUV
1AOM

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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.

Contact:

For any question or concern please contact Hesam Dashti (hdashti@bwh.harvard.edu).