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: HSM, ATP, ALE, CAU, G39, A1LU6,...

KEGG compound/drug code: C00388, C00002, D00095, D07608, D01977...

SMILES string: CNCC(c1ccc(c(c1)O)O)O
Upload your compound file:
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,A1LU6,...

The chemical compound search is performed by KCOMBU.
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