PKIDB

PKIDB

PKIDB is a Curated, annotated and updated database of Protein Kinase Inhibitors in clinical trials This database is freely accessible and can be browsed through a user-friendly spreadsheet-like interface.

Admetox
Network

Admetox Network

Admetox Network shows a comprehensive network map of ADME-Tox Databases. It helps to identify the relevant databases required to create robust predictive QSAR models.

KinoMine

KinoMine

KinoMine allows exploring selectivity and binding modes of kinome associated ligands. Data was collected and curated from heterogeneous public databases : PDB Structures, Uniprot Sequences and ChEMBL Bioactivities.

MolDesc

MolDesc

MolDesc computes molecular descriptor values (e.g. molecular weight, logP, topological polar surface area, number of hydrogen bond donors and acceptors and rotatable bonds ...). It is based on RDKit and can be applied on any drawn molecule

MolDesc

MetaPredict

MetaPredict

MetaPredict is a webservice using statistical models to predict Absorption, Distribution, Metabolism, Elimination and Toxicity (ADMETox) properties for any molecule.

Frags2Drugs

Frags2Drugs

Frag2Drugs uses in silico Fragment Based Drug Design from molecular fragments to generate inhibitors of protein kinases. It only requires a protein structure (PDB), a molecular seed with a starting postion to obtain potential potent and selective protein kinase inhibitors.

ProtSong

Coming soon

ProtSong

ProtSong is a program able to create melodies from protein structures and properties.

Coming soon

ProtSong

Coming soon