Run SEA Search

SEA User Guide

Welcome to the new SEA Search Interface

1. Select Fingerprint type

2. Select Reference Targets

Targets from ChEMBL library

Restrict to a subset of library targets (Optional)

Custom Targets *Tip

Specify custom targets

3. Select Query

ChEMBL Targets Query

Restrict to a subset of ChEMBL library targets

Custom Query *Tip

Specify compounds or targets

To screen custom compounds, list each compound separately with these columns:
( please don't include in <compound_id> any commas, spaces or tabs )

<smiles> [<compound_id>]

And ZINC ID can also be used For example:

ZINC000431131405
ZINC000276896078

NCCc1c[nH]c2ccc(O)cc12 serotonin
NCCc1ccc(O)c(O)c1 dopamine
Oc1ccc(cc1O)[C@@H](O)CNC
NC[C@H](O)c1ccc(O)c(O)c1

Or to screen custom targets, list target-compound pairs with these columns:
( please don't include in <compound_id> and <target_id> any commas, spaces or tabs)

<target_id> <smiles> <compound_id>

For example:

HCA1 C[C@H](O)C(=O)O lactate
HCA1 O=C(O)CCCO GHB
HCA1 O=C(O)c1cccnc1 niacin
HDAC1 C[C@@H](O)CC(=O)O BHB
HDAC1 [O-]C(=O)CCC butyrate

which will group the compounds by the target id into sets.