Janelia Fluor 526, SE (JF526,SE) 是一种含有 NHS 酯基的荧光黄色荧光染料。JF526 是一种用于荧光配体的多功能支架，包括用于遗传编码的自标记蛋白质标签和用于内源性结构的染色。Janelia Fluor 产品在美国专利下获得许可，来自 Howard Hughes Medical Institute 的 No.9,933,417，10,018,624，10,161,932 和其他专利。
Diversity-based screening continues to be a vital tool for drug discovery. Efficiency and productivity can be improved by using screening libraries that offer maximum diversity whilst retaining drug-like properties. Chemspace Scaffold derived set composes 10,119 compounds, which including 3,373 scaffolds, 3 compounds per each. This library has exceptional coverage of drug-like chemical space.
Natural products are an attractive source with varied structures that exhibit potent biological activities, and desirable pharmacological profiles. The core scaffold of a natural product can also provide a biologically validated framework upon which to display diverse functional groups. Inspired by bioactive natural products, natural product-like compounds, occupying the same chemical space, are ideally suited to explore and to facilitate understanding of biological pathways.
MCE 10K Natural Product-like Compound Library consists of 10,000 natural product-like compounds. Each compound has scaffold of natural products or Tanimoto coefficient >0.6 with natural products. The natural-likeness scoring of these compounds is >-2. What’s more, compounds in the library are drug-like and readily available for re-supply, making it a powerful tool for new drug research and development. It can be widely applied in high-throughput screening (HTS) and high-content screening (HCS).
ASINEX has elaborated a library of diverse macrocycles using an effective tool box of synthetic methods. The resulting scaffolds are novel, tremendously diverse, medchem-relevant, macrocyclic frameworks.
Macrocyles tend to be larger than traditional screening molecules which make them perfect discovery tools for targets with shallow or extended binding sites. At the same time, their unique character based on restricted flexibility and ability to form intra-molecular hydrogen bonds allows for design approaches effectively optimizing properties such asaqueous solubility and membrane permeability. Many of these macrocycles have been tested for aqueous and DMSO solubility with cut-offs applied at 10 mM in DMSO and 50 µM in PBS (pH 7.4) followed by PAMPA permeability assay.
Calcium Ion Channel Library contains about 10,560 compounds, and designed for discovery of new Voltage-gated calcium channel blockers. Calcium ion channels are responsible for an unusually large variety of physiological functions. Calcium ions entering the cell through voltage-gated channels serve as the second messenger of electrical signaling, initiating many different cellular events. Calcium Ion Channel Library encompasses both known chemotypes and molecules based on novel scaffolds identified in their in silico studies and MedChem based scaffold hopping projects.
“BioDesign” approach incorporates key structural features of known pharmacologically relevant natural products (e.g. alkaloids and other secondary metabolites) into synthetically feasible medicinal chemistry scaffolds. In order to identify the privileged pharmacophores, ring systems and linkers, we have carried out statistical analysis of structural features of natural products, marketed drugs, and drug candidates.
Saturated, fused ring, spiro, and bridged systems with a tendency towards multiple chiral centers are highly privileged among natural products and marketed drugs yet these structures are very poorly represented in commercial libraries. This library addressed this market need by incorporating these privileged elements into the design of novel synthetic molecules with high molecular framework diversity, multiple stereogenic centers (≥2), and degree of saturation (Fsp3 > 0.5).
Antibacterial Library contains about 28,831 compounds, and is designed for discovery of novel antibacterials. The new antibacterial library uses substructure and shape-based searches to select molecules with privileged cores, motifs, and natural product-like scaffolds that are known to be critical for antibacterial activity.
A unique set of molecules containing mild electrophilic moieties that covalently interact with amino acid residues in the target protein. The diversity of our compounds for covalent drug discovery ranges from natural product-like scaffolds to macrocycles, creating multiple opportunities in hit generation for a selected target.
A specially synthesized set of 2,470 compounds able to mimic glycosides and their interaction with proteins. The main emphasis of library design was made on drug-like compounds enriched with H-bond donors (possess at least two H-bond donors) and bearing nature-like Fsp3–rich scaffolds with diverse spatial orientation of H-bond donors and different 3D-shapes.
Discovery Diversity Sets (DDS) are high-quality compound libraries focused on novel chemotypes and non-trivial structures. Discovery Diversity Set 10 compose of 10,240 highly diverse compounds produced only within last three years. The Discovery Diversity Sets are highly recommended for random screening against new as well as popular targets because they are based on diverse novel scaffolds and latest building blocks. The hits discovered are expected to easily yield lead compounds.
Discovery Diversity Sets (DDS) are high-quality compound libraries focused on novel chemotypes and non-trivial structures. Discovery Diversity Set 50 compose of 50,240 highly diverse compounds produced only within last three years. The two sets do not overlap and deliver a total of 60 thousand compounds. The Discovery Diversity Sets are highly recommended for random screening against new as well as popular targets because they are based on diverse novel scaffolds and latest building blocks. The hits discovered are expected to easily yield lead compounds.
Macrocycles are promising scaffolds for the design of novel RNA targeting molecules. This collection of macrocycles for RNA consists of very diverse, drug-like molecules which incorporate certain known RNA-recognition elements (e.g. nucleobase ring systems and analogs) distributed within macrocyclic rings or peripheral fragments. As macrocyclic molecules tend to be larger than traditional screening molecules, it is vital to carefully assess and control their physicochemical properties. All macrocycles have been tested for aqueous and DMSO solubility with cutoffs applied at 10 mM in DMSO and 50 µM in PBS (pH 7.4); PAMPA permeability has also been tested for representative set of macrocycles.
Life Chemicals Collection of small organic molecules for high-throughput screening currently contains 494,471 off-the-shelf products. The Collection is being permanently replenished with de novo designed products having optimal physicochemical parameters for drug discovery.
Natural products are small molecules produced naturally by any organism including primary and secondary metabolites. Nowadays, new drugs based on Natural products are successfully applied to treat tumors, viral and bacterial diseases, and nervous disorders.
In response to the current drug discovery demand, we created this natural product-like compound library with 13,236 in-stock synthetic compounds similar to natural ones. The library was designed by 2D fingerprint similarity filtering, chemical descriptor-based and natural-likeness scoring selection. These compounds are useful tools for high throughput screening (HTS) and high content screening (HCS) programs.
A unique collection of 54,080 small molecules targeting G protein coupled receptors (GPCRs) used in GPCR screening for various research and drug development projects.
A unique collection of 56,320 novel small molecules with high CNS MPO (Central Nervous System Multiparameter Optimization) scores. The CNS-active molecules which are able to penetrate blood-brain barrier (BBB) were low polar surface area, low degree of possible hydrogen bond formation and low ClogP values.
Janelia Fluor 526, SE (JF526,SE) 是一种含有 NHS 酯基的荧光黄色荧光染料。JF526 是一种用于荧光配体的多功能支架，包括用于遗传编码的自标记蛋白质标签和用于内源性结构的染色。Janelia Fluor 产品在美国专利下获得许可，来自 Howard Hughes Medical Institute 的 No.9,933,417，10,018,624，10,161,932 和其他专利。
Syntenin-1; Melanoma differentiation-associated protein 9; Pro-TGF-alpha cytoplasmic domain-interacting protein 18; scaffold protein Pbp1; Syndecan-binding protein 1; SDCBP; MDA9; SYCL;
Syntenin-1; Melanoma differentiation-associated protein 9; Pro-TGF-alpha cytoplasmic domain-interacting protein 18; scaffold protein Pbp1; Syndecan-binding protein 1; SDCBP; MDA9; SYCL;
Ragulator Complex Protein LAMTOR3; Late Endosomal/Lysosomal Adaptor and MAPK and MTOR Activator 3; MEK-Binding Partner 1; Mp1; Mitogen-Activated Protein Kinase Kinase 1-Interacting Protein 1; Mitogen-Activated Protein Kinase scaffold Protein 1; LAMTOR3; MAP2K1IP
