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The International Union of Basic and Clinical Pharmacology (IUPHAR) / British Pharmacological Society (BPS) Guide to PHARMACOLOGY is an expert-curated resource of ligand-activity-target relationships, the majority of which come from high-quality pharmacological and medicinal chemistry literature. It is intended as a “one-stop shop” portal to pharmacological information and its main aim is to provide a searchable database with quantitative information on drug targets and the prescription medicines and experimental drugs that act on them. In future versions we plan to add resources for education and training in pharmacological principles and techniques along with research guidelines and overviews of key topics. We hope that the IUPHAR/BPS Guide to PHARMACOLOGY (abbreviated as GtoPdb) will be useful for researchers and students in pharmacology and drug discovery and provide the general public with accurate information on the basic science underlying drug action.
An interactive database hosted by Collaborative Drug Discovery for antibiotic susceptibility data (MIC and IC50). Data is extracted from journal articles and/or contributed by different organizations and individuals. In some cases, the data has not previously been published. Access to the database is open to everyone and can be requested at pewtrusts.org/spark-antibiotic-discovery. Effective November 18, 2021, Pew transferred all SPARK data to The University of Queensland’s Community for Open Antimicrobial Drug Discovery (CO-ADD). Please visit spark.co-add.org https://co-add.org/.
ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data). The data is abstracted and curated from the primary scientific literature, and cover a significant fraction of the SAR and discovery of modern drugs We attempt to normalise the bioactivities into a uniform set of end-points and units where possible, and also to tag the links between a molecular target and a published assay with a set of varying confidence levels. Additional data on clinical progress of compounds is being integrated into ChEMBL at the current time.
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The Small Molecule Pathway Database (SMPDB) contains small molecule pathways found in humans, which are presented visually. All SMPDB pathways include information on the relevant organs, subcellular compartments, protein cofactors, protein locations, metabolite locations, chemical structures and protein quaternary structures. Accompanying data includes detailed descriptions and references, providing an overview of the pathway, condition or processes depicted in each diagram.
The Protein Data Bank (PDB) archive is the single worldwide repository of information about the 3D structures of large biological molecules, including proteins and nucleic acids. These are the molecules of life that are found in all organisms including bacteria, yeast, plants, flies, other animals, and humans. Understanding the shape of a molecule helps to understand how it works. This knowledge can be used to help deduce a structure's role in human health and disease, and in drug development. The structures in the archive range from tiny proteins and bits of DNA to complex molecular machines like the ribosome.