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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
17 Results for "
π–π stacking interaction
" in MedChemExpress (MCE) Product Catalog:
Products (17)
17 Results for "π–π stacking interaction" in MCE Product Catalog:
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1 Cited Publications
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IDO1/TDO-IN-4 is a potent IDO1/TDO dual inhibitor, with IC50 values of 3.53 μM (IDO1) and 1.15 μM (TDO). IDO1/TDO-IN-4 forms hydrogen bond with IDO1, and π−π stacking interaction with TDO. IDO1/TDO-IN-4 can be used in the research of depression, and depression-induced infectious, metabolic, and autoimmune disorders .
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Ketones, Aldehydes, Acids Other Diseases Phenols Polyphenols Endogenous metabolite Disease Research Fields
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Cat. No.: HY-149826
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MTHFD2-IN-2 is a selective MTHFD2 inhibitor with poor binding to MTHFD1. MTHFD2-IN-2 binds to the MTHFD2 substrate binding site, forming π-π stacking with Tyr84, hydrogen bond/salt-bridge contacts with Arg43 and Asn87, and lipophilic interactions with Ile276. MTHFD2-IN-2 exhibits predicted anticancer activity. MTHFD2-IN-2 can be used for the research of cancer .
Cat. No.: HY-33821
CAS No.: 171049-41-5
LXRβ ligand 1 is a LXR β ligand-binding domain agonist, with an EC50 of 57 μM and a Ki of 28 μM against human LXR β. LXRβ ligand 1 forms hydrogen bonds with His435, stabilizes the His-Trp activation switch, and locks the ligand-binding domain in an agonist conformation; its tert-butyl moiety occupies a hydrophobic subpocket, while its phenyl moiety forms a π-π stacking interaction with Phe329. LXRβ ligand 1 serves as a structural unit for the development of LXRβ modulators .
Cat. No.: HY-151405
CAS No.: 1050587-57-9
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Z164597606 is a selective BChE inhibitor (IC50: 1.3 and 1.7 μM for eqBChE and hBChE). Z164597606 forms a π-π stacking interaction with the amino acid Trp82 of hBChE. Z164597606 can be used for the research of Alzheimer’s disease (AD) .
Cat. No.: HY-187377
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α-Glucosidase-IN-121 is a yeast α-glucosidase inhibitor with an IC50 of 3.8 μM and a Ki of 12.9 μM. α-Glucosidase-IN-121 binds to the active site of the enzyme, competes with substrate binding, and forms stable interactions with Phe137, Ser308, Pro309, Arg312 and Glu350 via hydrogen bonding, π-π stacking and hydrophobic interactions. α-Glucosidase-IN-121 can be used in the research of diabetes .
Cat. No.: HY-181171
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HIT-2 is an estrogen receptor alpha (ERα) inhibitor that can bind to the ERα ligand binding domain. HIT-2 forms stable interactions including hydrogen bonds, π-π stacking, and hydrophobic contacts to disrupt ERα-driven signaling. HIT-2 exhibits antineoplastic activity against breast cancer. HIT-2 can be used for the research of breast cancer .
Cat. No.: HY-187383
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Carbonic anhydrase-IN-40 is a human carbonic anhydrase I/II inhibitor, with an IC50 of 16.900 nM against hCA I and an IC50 of 4.682 nM against hCA II. Carbonic anhydrase-IN-40 binds to the active site of the enzyme, coordinates with the catalytic zinc ion, forms π-π stacking interactions with active site residues, and makes hydrophobic contacts with the hydrophobic pocket. Carbonic anhydrase-IN-40 can serve as a lead compound for studies related to carbonic anhydrase inhibitors .
Cat. No.: HY-103084
CAS No.: 2109805-65-2
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PDE5-IN-1 is an orally active, selective PDE5 inhibitor with an IC50 of 5.6 nM. PDE5-IN-1 forms hydrogen bond interactions with the Q817 residue in the catalytic domain of PDE5, and aromatic π-π stacking interactions with the F820 residue. PDE5-IN-1 exerts anti-cardiac hypertrophy and vasodilatory effects, reduces mean pulmonary arterial pressure and right ventricular hypertrophy index. PDE5-IN-1 can be used in the research of pulmonary arterial hypertension .
Cat. No.: HY-183427
CAS No.: 2660138-04-3
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KBJK557 is a Plk1 PBD inhibitor with a human-derived IC50 value of 3.05 μM. KBJK577 binds to Plk1 PBD through electrostatic interactions, π-π stacking, hydrogen bonds, salt bridges and hydrophobic interactions, thereby disrupting the subcellular localization and function of Plk1. KBJK557 induces mitotic arrest, S-phase delay, G2/M-phase arrest and apoptosis, and inhibits cancer cell proliferation. KBJK557 can be used in research related to cancer and non-small cell lung cancer .
Cat. No.: HY-182783
CAS No.: 862248-40-6
Synonyms: NTM-006
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NTM-006 is a selective and brain-penetrant adenosine A3 receptor (A3AR) agonist. NTM-006 selectively interacts with adenosine A3AR via π-π stacking with Phe168 and π-alkyl interactions receptor residues. NTM-006 inhibits Acetic acid (HY-Y0319)-induced writhing responses in mice. NTM-006 can be used for the research of chronic neuropathic pain, cancer-related pain, osteoarthritis-associated pain .
Cat. No.: HY-N19818
CAS No.: 2088505-67-1
Cat. No.: HY-184287
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Antibacterial agent 352 is an orally active Antibacterial agent. Antibacterial agent 352 binds to the active cavity of Staphylococcus aureus DNA gyrase via hydrogen bonding, π-π stacking and hydrophobic interactions, thereby blocking bacterial DNA synthesis. Antibacterial agent 352 exhibits antibacterial activity against Gram-positive bacteria including Staphylococcus aureus, Bacillus pumilus, Staphylococcus epidermidis and Enterococcus faecalis. Antibacterial agent 352 can disrupt established Staphylococcus aureus biofilms and inhibit the formation of Staphylococcus aureus biofilms. Antibacterial agent 352 can be used in the research of Staphylococcus aureus wound infections .
Cat. No.: HY-182030
RSV fusion protein IN-1 is an orally active RSV pre-fusion F protein inhibitor with an IC50 of 0.10 nM against RSV. RSV fusion protein IN-1 forms stable hydrogen bonds and π-π stacking interactions with pre-fusion F protein to block viral fusion and entry. RSV fusion protein IN-1 suppresses RSV F protein expression in epithelial cells. RSV fusion protein IN-1 reduces viral burden in the lungs of RSV-infected murine models.RSV fusion protein IN-1 can be used for the research of respiratory syncytial virus (RSV) infection .
Cat. No.: HY-183105
CAS No.: 2133291-32-2
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DC551040 is an orally active and selective lysine demethylase 1 (LSD1) inhibitor with a human IC50 of 2.14 nM. DC551040 binds to LSD1 via π-π stacking with Trp552, polar interactions with Phe538, and covalent adduct formation with FAD, and disrupts the LSD1-GFI1B-CoREST complex. DC551040 induces H3K4me2 accumulation, apoptosis, and cell differentiation, activates STAT5, NF-κB, AKT, and IL6-STAT3 pathways, and upregulates IL6 expression. DC551040 can be used for the research of acute myeloid leukemia .
Cat. No.: HY-182047
CAS No.: 2983098-90-2
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PD-1/PD-L1-IN-61 is a PD-1/PD-L1 interaction inhibitor with a human IC50 of 5.3 nM. PD-1/PD-L1-IN-61 embeds into the hydrophobic pocket at the PD-L1 dimer interface, stabilizing binding through hydrogen bonds and π-π stacking with PD-L1 residues. PD-1/PD-L1-IN-61 acts as an immune activator, enhances immune-killing activity of peripheral blood mononuclear cells against cancer cells, restores T-cell immune function, and promotes IFN-γ secretion. PD-1/PD-L1-IN-61 can be used for the research of triple-negative breast cancer .
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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
