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EC-BLAST : A Novel Tool to Map Reactions and Compare Enzymes


Step 1 - Input data

Either enter an EC Number or reaction name
(Example: 1.1.1.1 or alcohol dehydrogenase)


Or enter a molecule name
(Example: glucose or citrate)

Or upload a molecule file in MDL V2 format

Step 2 - Select parameters
Reaction Parameters
Bond change (bond formation/cleavage, bond order change, and stereo changes) [?]
Reaction center (the atoms at the center of the reaction) [?]
Combine bond changes and reaction centers [?]
Structure similarity (reaction structural similarity) [?]

Molecule Parameters
Substructure : match the query to the molecules in all reactions
Similarity : compare the query to the molecules in all reactions

Match to all molecules in the reaction
Match in substrates only
Match in products only
Step 3 - Submit

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