Active Pharmaceutical Ingredients from Brazilian Pharmacopeia in 2Dsdf, 3Dsdf and Mol2 format

Active Pharmaceutical Ingredients (APIs) are molecules that can be used for the manufacturing of Drugs. The Brazilian Health Regulatory Agency (Agência Nacional de Vigilância Sanitária) is responsible for the oversight and approval of production and distribution of all drugs in Brazilian territory. The dataset containing 2Dsdf, 3Dsdf and Mol2 format files may be useful in a vast range of in silico techniques. “APIs Anvisa sdf” is composed of 2D sdf format files, obtained from PubChem or DrugBank databases, where the download of the molecules were made manually and individually; “APIs Anvisa MOL2” is composed of mol2 format files; “APIs Anvisa 3Dsdf” having three-dimensional structures in sdf format. The data conversion was made by using the OpenBabel and Marvin software.