News
Access Drugs and Drug Targets in the PDB
03/12
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The example shows the auto-complete suggestions for stereoisomers when searching Ibuprofen.
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DrugBank widget for ibuprofen.
New features for exploring drugs found in PDB entries were recently added to the website.
Stereoisomers. The integration of drug and drug target data from DrugBank (www.drugbank.ca) has been extended to include stereoisomer matches. Searches for a given drug name will now return the different stereoisomers of the drug. For example, a Simple Search for Ibuprofen in the top bar will suggest the different stereoisomers associated with the drug.
DrugBank Widget. A new Drug Info widget available from Ligand Summary pages lists the corresponding data from DrugBank (when available). The widget contains DrugBank ID, drug name, groups, brand name, and more, with links to the corresponding data at DrugBank. A sequence search based on the drug target sequence can be launched from this widget. For an example, see the Ligand Summary page for IBP (ibuprofen).
Browse Database using ATC. The WHO Collaborating Centre for Drug Statistics Methodology's Anatomical Therapeutic Chemical (ATC) classification system organizes drugs into five levels according to the organ or system on which they act and/or their therapeutic and chemical characteristics. The RCSB PDB database can now be browsed using this system. Select the ATC tab from the Browse Database interface to navigate through the drug classification hierarchy, view the number of associated PDB structures, and access the related entries.
