About KinoMine

Data origin

Database Number of proteins
Uniprot 2019-11-19 519
Database Number of protein-ligand complexes Number of ligands
PDB 2019-11-13 6455 4393
Database Number of protein (with mutations) Number of ligands Number of bioactivities
ChEMBL 25 586 126670 684806

Used softwares

Django PostgreSQL Docker Anaconda
RDKit RDkit Cartridge JSME Plotly
DataTables Pandas PyMOL W3 schools

References

B. Bienfait and P. Ertl, JSME: a free molecule editor in JavaScript, J. Cheminformatics 5:24 (2013)

Involved people

Fabrice Carles (PhD) Gautier Peyrat (PhD Student) Juliette Douare (Internship)