HOMCOS:Searching Contact Proteins with Query Chemical Compound

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This service generates a list of contacting proteins with similar compounds to a given query compound. It is useful to know potential interacting protein-compound pairs and 3D-modellable protein-compound pairs.

A query compound can be input by three ways: input 3-letter compound code for PDB, input a SMILES string, or uploading chemical coumpound file (in SDF, MOL, MOL2 or PDB).
3-letter compound code of PDB: ALE, ATP, CAU, G39...

SMILES string CNCC(c1ccc(c(c1)O)O)O
Upload your compound file
SDF MOL MOL2 PDB
Draw a query compound by JSME editor

Set up for KCOMBU chemical structure search


Make a list of protein contact with a given PDB 3-letter compound, without any chemical structure searches.
3-letter compound code of PDB: ALE, ATP, CAU, G39...


The chemical compound search is performed by KCOMBU.
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