ActiTarg Series · 2,300 compounds
ActiTarg-G GPCR Ligands
Ligands from lattices relevant to the GPCR superfamily (seven-transmembrane receptors). The plated ActiTarg-G set currently includes 2,300 molecules.
ActiTarg-G is a plated screening set of ligands from TimTec stock lattices relevant to the GPCR superfamily (seven-transmembrane receptors). From a pool of over 7,000 compounds in more than 15 chemical series, TimTec assembled a pre-filtered diversity collection of 2,300 compounds for identifying synthesis directions for new GPCR ligands. Structural constraints and novel pendants within these lattices provide variability for hit optimization. Compounds are available for cherry-picking and/or as a collection in 96- or 384-well plates and in vials.
GPCRs are the largest family of cell-surface receptors and are integral to cellular and physiological functions including light sensing, smell, appetite control, insulin secretion, and blood-pressure modulation. They generally have a seven-membrane-spanning α-helical topography.
Lattices represented
| GPCR context | Lattice type |
|---|---|
| CRF / NPY | Ar-X-Ar |
| CRF | 4-Ar-2-aminothiazole |
| 5-HT | Indolines; gamma-carbolines; 5-substituted indoles; 4-arylpiperazines; aminoethyl- and aminopropylbenzamides |
| BDZ-like | Fused 6,7 ring systems |
| Various | Spiro systems; aryl/heteroarylpiperazines; benzylpiperazines; 4-aryl/heteroarylpiperidines; 4-OH-4-Phe-piperidines; tetrahydroisoquinolines |
| Chemokine | Diarylureas |
Published screens that used ActiTarg-G
These are literature reports, not TimTec efficacy claims:
- Luo, M.; Wang, X. S.; Roth, B. L.; Golbraikh, A.; Tropsha, A. Application of quantitative structure–activity relationship models of 5-HT1A receptor binding to virtual screening identifies novel and potent 5-HT1A ligands. J. Chem. Inf. Model. 2014, 54(2), 634–647. doi:10.1021/ci400460q. Virtual screen included the TimTec ActiTarg-G library of 2,300 GPCR-targeted compounds (also written as AntiTarg-G in the paper).
ActiTarg is one of TimTec’s targeted series. See the ActiTarg Series for the other letter collections.