Ligand.Info: all-Molecule Meta-Database
Ligand.Info is a compilation of various publicly available databases of all molecules such asChemBank,ChemPDB,KEGG,NCI,AKos GmbH,Asinex Ltd, andTimTec.The total size of the Meta-Database is 1 million entries.The compound records contain calculated three-dimensional coordinates and sometimes information about biological activity.Some molecules have information about FDA drug approving status or about anti-HIV activity.Meta-Database can be downloaded in SDF format and used for virtual high-throughput screening of new potential drugs.The database can also be screened using aJava-based tool.
网址
http://link.fyicenter.com/out.php?ID=530这个库里的化合物是来自很多不同数据库的汇总。比如ChemBank,ChemPDB,KEGG,NCI,AKos GmbH,Asinex Ltd, andTimTec. 下载的时候也可以按这几个来源分开来下的。
