SEArch

SEA search tool (SEArch)

This is the online search tool for the Similarity Ensemble Approach, which relates proteins based on the chemical similarity of their ligands.

Query compound:

Each line should contain a compound's SMILES and a one-word identifier. To run the Similarity Ensemble Approach (SEA) on a single compound, enter this info on a single line. For instance, to run caffeine, you could enter:

Cn1cnc2c1c(=O)n(c(=O)n2C)C caffeine

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To run SEA on multiple compounds as a single set, enter the list of compounds, one per line:

Cn1cnc2c1c(=O)n(c(=O)n2C)C caffeine
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C)n(n1)C viagra
CN1CCC23c4c5ccc(c4OC2C(C=CC3C1C5)O)O morphine

Database to search against:

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Molecular descriptor:

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		We are grateful to Dr. Tudor Oprea for the WOMBAT database, and also to the following for software and databases to power the SEArch:

michael*james*keiser+ucsf*edu