Eidogen-Sertanty, Inc. software

Eidogen`s algorithm engine for structure determination, binding site annotation, and similarity assessment have been used to generate the largest, most highly integrated database of structural chemogenomics information ever created. Some of the major features of TIP and the corresponding algorithms and software tools responsible for these features are summarized below:

The TIP Web Portal is the backend interface with the TIP database, providing a user-friendly, secure, web-based interface for performing advanced querying and data extraction from the database. With the TIP Web Portal, users are enabled with sophisticated search and sorting tools which allow quick and easy retrieval of relevant structural and binding site information. Once a set of interesting targets is collected, the user exports a TIP Project file to their Windows or Linux desktop for analysis with the client-side tool, the Eidogen Visualization Environment (EVE™).

The EVE™ analysis tool allows users to visualize and compare the small molecule binding sites of targets of interest in a matter of seconds. With EVE`s powerful yet easy-to-use Java3D©-driven interface, both expert and non-expert users alike can quickly analyze and compare important binding site properties and ligand interactions, dramatically enhancing the efficiency with which structure-based selectivity, binding mode analysis, and lead optimization studies can be carried out.

The Target Informatics Platform`s content includes more than 520K high resolution protein structure chains with reliably annotated small molecule binding sites covering every major drug target family including proteases, kinases, phosphatases, phosphodiesterases, nuclear receptors, and GPCRs. In addition to TIP`s high quality structural annotation, it is the only database of its kind that stores all similarity relationships between every sequence, structure, and binding site, making it an incredibly powerful system for structural and comparative proteomics.

The Kinase Knowledgebase (KKB) is Eidogen-Sertanty`s database of kinase structure-activity and chemical synthesis data. The KKB represents the first gene-family wide implementation of our proprietary web-based technology for the capture, curation, and display of biological activity and chemical synthesis data from scientific literature and patents.

Given that the discovery of novel, relevant, and safer medicines is often gated by what practicing chemists can and actually do synthesize in the laboratory (i.e. "what can be made" vs. "what should be made"), Eidogen-Sertanty has developed the ChIP system to capture, preserve, and explore medicinally relevant space by delicately balancing synthetic accessibility with medicinal relevancy. Leveraging today`s compute power, ChIP will assist in the Prospective Exploration of Synthetically Feasible, Medicinally Relevant Chemical Space (J.Chem. Inf. Model. 2005, 45, 239-248).

iKinase is a mobile app that provides access into Eidogen-Sertanty`s Kinase Knowledgebase (KKB). The KKB is a small molecule activity database that is curated from patents and peer-reviewed publications by an experienced team of PhD chemists and biologists.

iKinasePro is an app which expands upon iKinase by providing access into Eidogen-Sertanty`s Kinase Knowledgebase (KKB) with fast and powerful substructure-, similarity-, and super-similarity searching capability. In addition, you can search the kinome by target name, by finger-drawn chemical structures, and/or tap through a vast array of ring structures to circumnavigate the Kinome from several different perspectives. You can also register for alerts to keep current with new KKB updates and receive detailed SAR information by email.

MObile REagents (MORE) is a scientific app that gives you access to over 9.7 million molecules and 17.6 million product variations offered by more than 55 suppliers. You can search by name, CAS#, formula or by structure within a hitlist or by drawing a structural query with a very powerful molecular editor (Embedded MMDS). You can also limit your searches to specific suppliers, bookmark search results, recall previously executed molecule-based searches, build/restore lists, and view molecular descriptors. Here is a video of Mobile Reagents in action.