Royal Society of Chemistry 175th anniversary
As the oldest chemical society in the world, we're proud to be celebrating our 175th anniversary during 2016. We want to mark this milestone by recognising the rich heritage and community of which we're all a part. We'd also like to acknowledge the important role we all play in contributing to the future of the chemical sciences
I thought I'd contribute to the activities by highlighting "Molecule 175" from various databases.
First up ChemSpider a free chemical structure database supported by the Royal Society of Chemistry providing fast text and structure search access to over 40 million structures from hundreds of data sources. ChemSpider ID 175 refers to acetone, a very important solvent with millions of tonnes produced annually.
Next ChEMBL a database of over 1,7 million small molecules and associated biological activity data. ChEMBL175 is Dexibuprofen, this is the active enantiomer of ibuprofen, a well known non-steroidal anti-inflammatory drug.
Drugbank is a richly annotated database of drug and drug target information. DB00175 is Pravastatin a HMG-CoA reductase inhibitor used as a cholesterol-lowering agent.
Pubchem released in 2004, provides information on the biological activities of small molecules. Pubchem CID175 belongs to acetate, the ionised form of acetic acid, Acetate is the most common building block for biosynthesis.
BindingDB is a public, web-accessible database of measured binding affinities, focusing chiefly on the interactions of protein considered to be drug-targets with small, drug-like molecules. BDBM175 refers to an inhibitor of HIV protease designed to take advantage of the C2 axis of symmetry found for this dimeric protease.
Zinc is a free database of commercially available compounds ideal for virtual screening, entry 175 appears to be a hydrated form of the benzodiazepine Clorazepate.
In the IUPHAR/BPS Guide to PHARMACOLOGY entry 175 is Spiramide, a 5-HT2 antagonist.