At the beginning of the year 2023, we released a new version of the Probes & Drugs portal (ver. 04.2022) with up-to-date data as of the end of the previous year. As always, all of the major data sources (ChEMBL, Guide to Pharmacology, BindingDB) were updated to their latest versions, as well as most of the live compound sets (as of 04.2022 marked in the Compound sets view) and there are also 2 brand new compound sets - DrugMAP and VGSC-DB.
DrugMAP is yet another comprehensive resource for data about approved drugs and current/former drug candidates, accompanying other established drug-focused repositories such as DrugBank and DrugCentral. "DrugMAP provides a comprehensive list of interacting molecules for >30 000 drugs/drug candidates, gives the differential expression patterns for >5000 interacting molecules among different disease sites, ADME (absorption, distribution, metabolism and excretion)-relevant organs and physiological tissues, and weaves a comprehensive and precise network containing >200 000 interactions among drugs and molecules." For more detailed information about the resource, you can read a paper, DrugMAP: molecular atlas and pharma-information of all drugs, that was recently published in NAR.
The second new compound set is the VGSC-DB (Voltage-gated Sodium Channels Database). "VGSC-DB is the largest professional online database of voltage-gated sodium channels (VGSCs/Navs), which comprehensively collects the compound and receptor data resources of sodium channels. VGSC-DB provides open access to 6055 data records, including 3396 compounds from 173 references across nine subtypes of Navs (Nav1.1 ~ Nav1.9), to accelerate scientific research." For more detailed information about the resource, you can read a paper, VGSC-DB: an online database of voltage-gated sodium channels, that was recently published in the Journal of Cheminformatics.
Mainly thanks to both of the new resources, the number of standardized compounds on the P&D significantly grew - from 86k to more than 105k. Along with them, based on the other updated, mainly chemical probes compound sets, the number of P&D approved probes grew to 1,154, our live high-quality chemical probes to 714 and the number of chemical probes you can get free of charge (from SGC Frankfurt and opnMe portal) to 166.
Besides data, we also updated a bit our compound detail view with dedicated Target pathways, References and Available from sections. Each target pathway contains gene names relevant to the compound's protein targets and can be also filtered from the targets section through the pathway icon. The Available from section contains links not only for commercial compound vendors, but also to sources where you can get some of the chemical probes free of charge (opnMe portal set by Boehringer Ingelheim and SGC Donated Chemical Probes set by SGC Frankfurt).
All data from the P&D portal are available for download in a form of a PostgreSQL database dump in the Downloads sections, accompanied by focused file exports for compound structures, targets, external links, etc. To get links to P&D, you can also use a great service from EMBL-EBI interconnecting compound databases - UniChem.
As always, we hope you’ll find the new data and functionality useful - if you have any suggestions for new functions or compound sets we could include in our database, please, let us know through the contact form or through our Twitter account (@probesanddrugs).