The ChemProt 2.0 server is a ressource of annotated and predicted chemical-protein interactions.
The server is a compilation of over 1 100 000 unique chemicals with biological
activity for more than 15000 proteins.
ChemProt can assist in the in silico evaluation of small molecules (drugs, environmental chemicals and natural products)
with the integration of molecular, cellular and disease-associated proteins complexes.
You are welcome to read the "instructions" and "output format" in order to get more
information about the different search options.
For publication of results, please cite:
ChemProt-2.0: Visual navigation in a disease chemical biology database.
S.K. Kjaerulff, L. Wich, J. Kringelum, U.P. Jacobsen, I. Kouskoumvekaki, K.
Audouze, O. Lund, S. Brunak, T.I. Oprea, O. Taboureau.
View the abstracts.
The chemical-protein information has been provided by:
ChEMBL WOMBAT & WOMBAT-PK DrugBank PubChem Bioassay
STITCH PharmGKB CTD IUPHAR
JME applet (Java
Molecular Editor) used above has been provided by courtesy of dr
The structure conversion to smile and output visualisation of the chemical structure is performed using Chemaxon
The MACCs and FP2 fingerprints were computed using OpenBabel software
The protein-protein interactions network were visualized using Cytoscape software
This work has been supported by:
The Innovatives Medicines Initiative Joint Undertaking (eTOX) and (open PHACTS) The Lundbeck Foundation
The GENDINOB project supported by the Danish council for Strategic Research