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Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!2025-02-06
49 Results for "
structure-based pharmacophore
" in MedChemExpress (MCE) Product Catalog:
Products (49)
49 Results for "structure-based pharmacophore" in MCE Product Catalog:
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Vaborbactam (RPX7009) is a cyclic boronic acid pharmacophore β-lactamase inhibitor.
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Vipivotide tetraxetan (PSMA-617) is a high potent prostate-specific membrane antigen (PSMA) inhibitor, with a Ki of 0.37 nM. Vipivotide tetraxetan (PSMA-617) is designed consisting of three components: the pharmacophore Glutamate-urea-Lysine, the chelator DOTA able to complex both 68Ga or 177Lu, and a linker connecting these two entities. Glutamate-urea-Lysine is the selective pharmacophore to bind to prostate specific membrane antigen.
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6 Cited Publications
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GAL-021 is a potent BKCa-channel blocker. GAL-021 inhibits KCa1.1 in GH3 cells. GAL-021 is a novel breathing control modulator that is based on selective modification of the almitrine pharmacophore. GAL-021 increases minute ventilation in rats and non-human primates .
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Artefenomel (OZ439) is an orally active, synthetic anti-malarial compound containing an artemisinin pharmacophore with a mechanism of action similar to that of artemisinin. Artefenomel has antiviral activity against SARS-CoV-2 .
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1 Cited Publications
Cat. No.: HY-43869
CAS No.: 1703768-74-4
Synonyms: PSMA-617 Ligand-Linker Conjugate
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Vipivotide tetraxetan Ligand-Linker Conjugate (PSMA-617 Ligand-Linker Conjugate) is a complex composed of pharmacophore group Glutamate-urea-Lysine peptide coupling linker, which can be used to synthesize Vipivotide tetraxetan (PSMA-617). Glutamate-urea-Lysine selectively binds to prostate-specific membrane antigen (PSMA) .
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1 Cited Publications
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Cysteine Thiol Probe is a thiol-based probe designed to label electrophilic natural products. Cysteine Thiol Probe possesses each of the characteristics of an ideal pharmacophore probe, and has a chromophore. Cysteine Thiol Probe is capable of engaging enone-, β-lactam-, and β-lactone-based electrophilic metabolites .
BI-2852 is a KRAS inhibitor for the switch I/II pocket (SI/II-pocket) by structure-based agent design with nanomolar affinity. BI-2852 is mechanistically distinct from covalent KRASG12C inhibitor (binds to switch II pocket) and binds ten-fold more strongly to active KRASG12D versus KRASwt (740 nM vs 7.5 μM). BI-2852 blocks GEF, GAP, and effector interactions with KRAS, leading to inhibition of downstream signaling and an antiproliferative effect in KRAS mutant cells.
Cat. No.: HY-W013040
CAS No.: 290-37-9
Synonyms: 1,4-Diazine
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Cardiovascular Disease Infection Inflammation/Immunology Cancer
Pyrazine (1,4-Diazine) is an aromatic nitrogen-containing heterocyclic compound with two nitrogen atoms, and is well known for its electron-deficient property. Pyrazine serves as a key pharmacophore in a variety of drugs, and also acts as the core skeleton of derivatives with anticancer, antimycobacterial, antithrombotic and anti-inflammatory activities .
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Rolitetracycline is a highly soluble, broad-spectrum antibiotic derived from tetracycline. Rolitetracycline binds to and stabilizes bovine serum albumin, and also inhibits HIV-1 integrase, blocks Aβ fibril formation and suppresses dengue virus proliferation. Rolitetracycline mediates the inhibition of Aβ fibrils via a specific three-dimensional pharmacophore conformation, and exerts bacteriostatic and bactericidal activities. Rolitetracycline acts synergistically with Penicillin G (HY-N7139) or Cephalothin (HY-B1275A) to alter the effects on microbial growth. Rolitetracycline serves as an important tool compound for the study of bacterial infections (urinary tract infections, sepsis), HIV-1 and dengue virus infections, as well as Alzheimer's disease .
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Metyltetraprole is a QoI fungicide containing a tetrazolinone pharmacophore that binds to the Qo site of the cytochrome bc1 complex (complex III), blocks D-Panthenol (HY-B1391) oxidation, and inhibits mitochondrial electron transport, while retaining antifungal activity against QoI-resistant isolates and exhibiting broad-spectrum antifungal effects. Metyltetraprole is used in the study of wheat Septoria leaf blotch, net blotch, cucumber downy mildew, and powdery mildew .
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(R)-BI-2852 is the isomer of BI-2852 (HY-126247), and can be used as an experimental control. BI-2852 is a KRAS inhibitor for the switch I/II pocket (SI/II-pocket) by structure-based agent design with nanomolar affinity. BI-2852 is mechanistically distinct from covalent KRASG12C inhibitor (binds to switch II pocket) and binds ten-fold more strongly to active KRASG12D versus KRASwt (740 nM vs 7.5 μM). BI-2852 blocks GEF, GAP, and effector interactions with KRAS, leading to inhibition of downstream signaling and an antiproliferative effect in KRAS mutant cells.
Cat. No.: HY-W013040S
CAS No.: 1758-62-9
Synonyms: 1,4-Diazine-d4
Cat. No.: HY-P3223A
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16-Dehydropregnenolone acetate (16-DPA), a sterols compound, is an orally active 17α-hydroxylase and 5α-reductase inhibitor. 16-Dehydropregnenolone is also a potent bile acid receptor (BAR)/farnesoid X receptor (FXR) antagonist. 16-Dehydropregnenolone hypolipidemic and anticancer effects. 16-Dehydropregnenolone acetate (16-DPA) is the drug intermediate that can be used for synthesis of Dexamethasone (HY-14648) and related other steroidal pharmacophores .
Cat. No.: HY-175005
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CF-Carvacrol is an orally active lipid-lowering agent synthesized by merging the pharmacophores of Carvacrol (HY-N0711) and Clofibric acid (HY-B1415). CF-Carvacrol has a good affinity for PPAR-α. CF-Carvacrol has significant hypolipidemic activity and may exert antioxidant and anti-inflammatory activity by activating the Nrf2/HO-1 signaling pathway to reduce liver injury. CF-Carvacrol can be used for the study of CF-induced liver damage .
Cat. No.: HY-129886
CAS No.: 728886-01-9
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PKUMDL-LTQ-301 is a HipA toxin inhibitor discovered through structure-based virtual screening, which has the activity of significantly reducing the persistence of Escherichia coli. Its most effective compounds have certain KD and EC50 values when screened against different antibiotics in vitro and in vivo.
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Cat. No.: HY-126763
CAS No.: 681816-57-9
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ATI22-107 is a dual-pharmacophore compound designed to simultaneously inhibit cardiac phosphodiesterase (PDE-III) and L-type calcium channels (LTCC), with activity that has specific effects on calcium cycling and contractility in cat ventricular myocytes and trabeculae.
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Protocols
Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!A suitable model is crucial in drug screening experiments. Organs can mimic the three-dimensional functional structure of internal organs, have similar spatial organization to corresponding organs, maintain some key characteristics, and reproduce some physiological functions. They are widely used for modeling and personalized drug screening physiological functions.2025-02-06
