A database of 3D chemical structures of drugs, providing several collections of ready-to-screen SD files of drugs fragments. The structure of each drug has been manually checked to assign the exact stereochemistry to chiral centers. e-Drug3D also provides a link to the FDA website for each registered molecule and gives several informations such physicochemical properties, synthesis references, commercial suppliers…
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).