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LIPID MAPS Structure Database Lipids HMDB ChEBI PubChem InChI LMFA "LMSD". 44701 LOLI: List of Lists safety data sheets, regulation "LOLI". Mcule supplied chemicals InChI, SMILES, SDF, physichochemical properties "Mcule". 45,000,000 MediaDB Institute for Systems Biology: growth media "MediaDB". 288 Merck Index: Royal Society of Chemistry: drugs ...
The DNA double helix structure is stabilized by hydrogen bonds formed between base pairs: adenine with thymine (A-T) and cytosine with guanine (C-G). Many structural bioinformatics studies have focused on understanding interactions between DNA and small molecules, which has been the target of several drug design studies.
162,041 structures in the PDB have a structure factor file. 11,242 structures have an NMR restraint file. 5,774 structures in the PDB have a chemical shifts file. 13,388 structures in the PDB have a 3DEM map file deposited in EM Data Bank. Most structures are determined by X-ray diffraction, but about 7% of structures are determined by protein ...
ChEMBL or ChEMBLdb is a manually curated chemical database of bioactive molecules with drug inducing properties. [1] It is maintained by the European Bioinformatics Institute (EBI), of the European Molecular Biology Laboratory (), based at the Wellcome Trust Genome Campus, Hinxton, UK.
Version 3.0 also included drug transporter data, drug pathway data, drug pricing, patent and manufacturing data as well as data on >5000 experimental drugs. Version 4.0 was released in 2014. [ 4 ] This version included 1558 FDA-approved small molecule drugs, 155 biotech drugs and 4200 unique drug targets.
The Structural Classification of Proteins (SCOP) database is a largely manual classification of protein structural domains based on similarities of their structures and amino acid sequences. A motivation for this classification is to determine the evolutionary relationship between proteins.
PubChem is a database of chemical molecules and their activities against biological assays.The system is maintained by the National Center for Biotechnology Information (NCBI), a component of the National Library of Medicine, which is part of the United States National Institutes of Health (NIH).
In biology, a protein structure database is a database that is modeled around the various experimentally determined protein structures.The aim of most protein structure databases is to organize and annotate the protein structures, providing the biological community access to the experimental data in a useful way.