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Chemoinformatic database online :

  

Database

URL

Description

e-Drug3D

http://chemoinfo.ipmc.cnrs.fr/MOLDB/index.html

Structure, bioactive metabolites and PK/PD data on FDA-approved drugs

 

PKIDB

http://www.icoa.fr/pkidb/

Kinase inhibitors in clinical development

Bioinfo DB

http://bioinfo-pharma.u-strasbg.fr/bioinfo/

Commercially-available drug-like compounds

sc-PDB

http://bioinfo-pharma.u-strasbg.fr/scPDB/

Sites de liaisons `droguables¿ des protéines de la PDB

2P2I

http://2p2idb.cnrs-mrs.fr/

Structure of protein-protein interfaces and their inhibitors

iPPI-DB

http://www.ippidb.cdithem.fr/

Structure and activity of protein-protein interface modulators

Norine

http://bioinfo.lifl.fr/norine/

Non-ribosomal peptides

BactPepDB

http://bactpepdb.rpbs.univ-paris-diderot.fr/

Peptides from procaryotic genomes

 

A list of natural extracts from CN :

base_extractothequejuin2018.pdf

A list of compounds structures from Chimiothèque Nationale [CN] :

To visualize a sample of compounds structures (Chimiothèque Nationale Essentielle), please click on the following link :  CN.pdf. To download all structures from CN, please go the page "Access to the database for registered users only). 

Chemoinformatic tools online : 

(coming soon)

CNE cytotoxicity

Cytotoxicity of CNE (1.040 compounds) has been measured on three different human, normal and cancerous cell lines at CMBA (CEA Grenoble).



Barette C.* and Fauvarque M.O., unpublished results

Criblage pour des Molécules BioActives (CMBA)

Univ. Grenoble Alpes, INSERM, CEA, F-38000 Grenoble, France.

*correspondance: caroline.barette@cea.fr