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

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Process a structure file

Publication files:

Formula: H₉N₃Pt₁
Compound mass: 246.1692
Compound with ALATIS labels (download):

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

List of identified carbohydrate fragments:

Most similar ligands:

Ligand Expo ID	PDB protein complex ID
PTN	5BNA 211D
CPT	5F9U 3M9N 4DDC 4G49 5I0A 4MWM 3LPV 3M9O 5FCP 4DD4 2NQ0 4MWN 4DL4 4ZEE 4GCE 2AEO 4MWK 2WTF 4OT4 3IWX 2R8J 1DDP 4N11 4RSZ 4DDB 4G4A 5L4R 2R8K 5N26 1DA5 4N10 6BS1 1DA4 3RE0 4S1Y 4RTE 5F9X 4G4B 4YEO 4DL6 4GCD 3TXF 4DL5 4GCC 4GCB 2I6Z 4DD6 3M9M 6BRX 3TXK 4TUS 1AIO 3O62 5ERJ 5A39 3TXG 4DL7 4EEY 1I1P 4Z46 4N0Z 1AU5 2NPW 1A2E 4TUR 1A84 1KSB 2R7Z 1CKT
NCP	2AEO
YPT	4MR1
PT	2CH8 4JA1 3REK 5L3H 1RLI 3REL 6G5V 6MYL 3REI 4QI7 4LQ6 1SEN 3AZ5 1QVR 5DJM 6DLP 4OWC 4LW9 4PKE 2HR8 1RH7 6IG4 2XN0 5T7L 5IDD 2F83 5DJL 5I5Q 1QBI 4Q37 5OLE 1MOX 3N32 6HJT 5L3I 5OLD 1SJ7 3ONR 4YEO 5HMJ 4LL7 1GWB 5E5E 3W3S 1Q2L 5M1Y 2DQA 5IHG 6HJU 1RR7 4GCF 4QOT 2V1Q 4DPE 1OK9 1RNL 5LXW 1L4U 5V6I 5MU1 1LZW 3UN9 4LAB 6G5Y 1SF9 3AZ7 2HUV 6FHN 4OMB 6AQK 5DLB 6FFL 4OWB 4MWK 5MIJ 1W07 4EFQ 5L75 2CIM 1JJF 5HMV 4I1G 5ILF 2HUX 5HLL 5FM0 4OW9 3TJQ 1QYY 5HQ1 1YEM 4PGW 6GOJ 2Z8Z 6GOH 1BIX 5ILC 4OWE 2HUQ 1EU8 3W1I 1XC3 2B7K 4H5A 6NJW 1NNW 4YEN 2PL1 4YEM 2BHO 3TUR 6MW5 1UAS 3VDK 4PM3 5MIK 4YDX 5YKY 3N9J 3IWL 3M7K 2PIL 4RY3 1AY2 3VTN 4MWN 1IHH 2X2B 2IS9 4MWM 4GCB

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

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.

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