e-Drug3D specifications

Information


Unique identifier OMICS_02737
Name e-Drug3D
Restrictions to use None
Community driven No
Data access Browse
User data submission Not allowed
Maintained Yes

Publication for e-Drug3D

e-Drug3D citation

library_books

In silico model of the human ClC Kb chloride channel: pore mapping, biostructural pathology and drug screening

2017
Sci Rep
PMCID: 5543074
PMID: 28775266
DOI: 10.1038/s41598-017-07794-5

[…] t could be used orally). For this in silico drug repositioning experiments, the most representative structure of the MD simulation was used and 1125 FDA compounds, gathered in the last version of the e-Drug3D database, were docked in a cavity that surrounds the entrance of the chloride atom. This pocket is located on the extracellular side of the protein. Interestingly, this cavity is predicted by […]

e-Drug3D institution(s)
Institut de Pharmacologie Moléculaire et Cellulaire, CNRS UMR7275, Université Nice-Sophia Antipolis, Valbonne, France; Centre de Biochimie Structurale, INSERM U1054, CNRS UMR5048, Université Montpellier 1 et 2, Montpellier, France
e-Drug3D funding source(s)
This database was funded by French National Research Agency (Grant FRAGSCREEN ANR-07-JC-JC-0046-01).This database was funded by French National Research Agency (Grant FRAGSCREEN ANR-07-JC-JC-0046-01).

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