In order to boost the identification of low-molecular-weight drugs on protein-protein interactions (PPI), it is essential to properly collect and annotate experimental data about successful examples. This provides the scientific community with the necessary information to derive trends about privileged physicochemical properties and chemotypes that maximize the likelihood of promoting a given chemical probe to the most advanced stages of development.
A hand-curated structural database dedicated to protein-protein interactions with known orthosteric modulators. 2P2Idb includes all interactions for which both the protein-protein and protein-ligand complexes have been structurally characterized. A web server provides links to related sites of interest, binding affinity data, pre-calculated structural information about protein-protein interfaces and 3D interactive views through java applets. 2P2Idb represents a structural source of information for scientists from academic institutions or pharmaceutical industries.
Contains the structure, some physicochemical characteristics, the pharmacological data and the profile of the PPI targets of several hundreds modulators of protein-protein interactions. iPPI-DB is accessible through a web application and can be queried according to two general approaches: using physicochemical/pharmacological criteria; or by chemical similarity to a user-defined structure input. In both cases the results are displayed as a sortable and exportable datasheet with links to external databases such as Uniprot, PubMed. Furthermore each compound in the table has a link to an individual ID card that contains its physicochemical and pharmacological profile derived from iPPI-DB data. This includes information about its binding data, ligand and lipophilic efficiencies, location in the PPI chemical space, and importantly similarity with known drugs, and links to external databases like PubChem, and ChEMBL.
A database holding molecules of molecular weight <1,200 Daltons that modulate protein-protein interactions. Since its first release, the database has been extended to cover 50 known protein-protein interactions drug targets, including protein complexes that can be stabilized by small molecules with therapeutic effect. The resource contains 18,940 data points for 8,889 distinct small molecules. UniProt codes and Protein Data Bank entries are also included.
Compiles information about synthetic heterodimeric coiled coils. SYNZIPs is a database cataloguing various interactions connectivities both validated through in vivo and in vitro experiments. The repository provides SYNZIP sequences, structures and interactions coupled to interactions modules and related specifications. The files can be downloaded in various formats including TXT, CSV, XLS or PDB.