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Results for "

active cavity

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Adenosine Receptor (1) Apoptosis (2) Bacterial (7) Beta-lactamase (1) DNA/RNA Synthesis (1) Endogenous Metabolite (1) Environmental Pollutants (1) Herbicide (1) Histone Methyltransferase (1) HIV (1) HIV Integrase (1) iGluR (1) Isotope-Labeled Compounds (1) Microtubule/Tubulin (1) NO Synthase (1) PGC-1α (1) Reference Standards (1) SARS-CoV (1) Transketolase (1)
By Research Areas:	Cancer (2) Infection (8) Inflammation/Immunology (2) Metabolic Disease (1) Neurological Disease (2)

Inhibitors & Agonists

Peptides

Natural
Products

Isotope-Labeled Compounds

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-I0096

Indole-2-carboxylic acid	iGluR HIV HIV Integrase	Neurological Disease
Indole-2-carboxylic acid (I2CA) is a competitive antagonist of the glycine site of the NMDA receptor (K_i=15 μM, 5-fluoro-I2CA) and an inhibitor of HIV-1 integrase. Indole-2-carboxylic acid is selective for the glycine site of the NMDA receptor and blocks the enhancement of NMDA receptor by competitively inhibiting the binding of glycine to the NMDA receptor. Indole-2-carboxylic acid can also inhibit the strand transfer activity of HIV-1 integrase by chelating Mg ²⁺ at the active site of integrase and interacting with the hydrophobic cavity. Indole-2-carboxylic acid can be used in the study of neurological diseases (such as stroke, epilepsy) and HIV-1 infection .

HY-130187A

Sapienic acid sodium 1 Publications Verification	Bacterial	Infection
Sapienic acid sodium is a fatty acid commonly found on the skin and in mucosa. Sapienic acid sodium has variable antimicrobial activities against Gram-positive and Gram-negative bacteria found on the skin and in the oral cavity. Sapienic acid sodium is active against *Streptococcus sanguinis, Streptococcus mitis* and *Fusobacterium nucleatum* with MBC values of 31.3 μg/mL, 375.0 μg/mL and 93.8 μg/mL, respectively .

HY-139731

Transketolase-IN-1	Transketolase Herbicide	Others
Transketolase-IN-1 is a transketolase inhibitor and a herbicide. Transketolase-IN-1 inhibits weed growth and exhibits safety for maize and wheat at specified application rates. Transketolase-IN-1 can be used for the research of weed control in wheat and maize fields .

HY-B1390A

Saccharin sodium	Environmental Pollutants Bacterial	Infection
Saccharin sodium is an orally active, non-caloric artificial sweetener (NAS). Saccharin sodium has bacteriostatic and microbiome-modulating properties. Saccharin binds to and signals via specific taste receptors, not only in the oral cavity but also alongside the gastrointestinal tract. Saccharin has been reported to bind the human and rodent heteromeric guanine nucleotide-binding protein (G protein) coupled sweet taste receptors T1R2/T2R3 as well as the human bitter taste receptor T2R43 and T2R44. Saccharin can inhibit bacterial growth in vitro .

HY-130187

Sapienic acid 1 Publications Verification	Bacterial	Infection
Sapienic acid is a fatty acid commonly found on the skin and in mucosa. Sapienic acid has variable antimicrobial activities against Gram-positive and Gram-negative bacteria found on the skin and in the oral cavity. Sapienic acid is active against *Streptococcus sanguinis, Streptococcus mitis* and *Fusobacterium nucleatum* with MBC values of 31.3 μg/mL, 375.0 μg/mL and 93.8 μg/mL, respectively .

HY-116188

HX1	Others	Inflammation/Immunology
HX1 is a potent reversible myeloperoxidase (MPO) inhibitor with an IC₅₀ value of 50 nM. HX1 is bound within the active site cavity above the heme and blocks the substrate channel. HX1 is promising for research of inflammatory diseases .

HY-B1390AR

Saccharin sodium (Standard)	Bacterial Reference Standards	Infection
Saccharin (sodium) (Standard) is the analytical standard of Saccharin (sodium). This product is intended for research and analytical applications. Saccharin sodium is an orally active, non-caloric artificial sweetener (NAS). Saccharin sodium has bacteriostatic and microbiome-modulating properties. Saccharin binds to and signals via specific taste receptors, not only in the oral cavity but also alongside the gastrointestinal tract. Saccharin has been reported to bind the human and rodent heteromeric guanine nucleotide-binding protein (G protein) coupled sweet taste receptors T1R2/T2R3 as well as the human bitter taste receptor T2R43 and T2R44. Saccharin can inhibit bacterial growth in vitro .

HY-130187S

Sapienic acid-d19	Isotope-Labeled Compounds Bacterial	Infection
Sapienic acid-d19 is a deuterated labeled Sapienic acid . Sapienic acid is a fatty acid commonly found on the skin and in mucosa. Sapienic acid has variable antimicrobial activities against Gram-positive and Gram-negative bacteria found on the skin and in the oral cavity. Sapienic acid is active against *Streptococcus sanguinis, Streptococcus mitis* and *Fusobacterium nucleatum* with MBC values of 31.3 μg/mL, 375.0 μg/mL and 93.8 μg/mL, respectively .

HY-133031A

CSV0C018875 hydrochloride	Histone Methyltransferase	Others
CSV0C018875 hydrochloride is a G9a (EHMT2) inhibitor that inhibits G9a activity. CSV0C018875 can effectively inhibit G9a activity in both enzyme and cell-based assays, and its toxicity is much lower than that of the known G9a inhibitor BIX-01294. CSV0C018875 binds tightly to the active site cavity of G9a, thereby improving the binding firmness and prolonging the residence time of the compound, further enhancing the inhibitory effect of G9a. CSV0C018875 has the potential to improve its ADME (absorption, distribution, metabolism and excretion) and pharmacodynamic properties through further optimization .

HY-183661

SCHEMBL12616233	SARS-CoV	Infection
SCHEMBL12616233 is a SARS-CoV-2 main protease (M_Pro) inhibitor. SCHEMBL12616233 binds to the active cavity of SARS-CoV-2 M_Pro and forms a stable complex. SCHEMBL12616233 can be used for the research of covid-19 .

HY-N19854

Mariaterpenoside A	NO Synthase	Neurological Disease
Mariaterpenoside A is an inducible nitric oxide synthase (iNOS) inhibitor. Mariaterpenoside A interacts with the active cavity of iNOS protein via hydrogen bonds with specific residues of the binding site. Mariaterpenoside A suppresses NO release in LPS (HY-D1056)-induced murine microglial BV-2 cells. Mariaterpenoside A can be used for the research of neurodegenerative disease .

HY-183076

AW00718	Bacterial	Infection
AW00718 is a Brachyspira pilosicoli glutamate racemase (Bp-MurI) inhibitor. AW00718 binds to Bp-MurI active site residues, forming stable hydrogen bonds and interactions with conserved amino acids in the enzyme’s binding cavity. AW00718 exerts antibacterial and bactericidal activity against Brachyspira pilosicoli in vitro. AW00718 can be used for the research of intestinal spirochaetosis .

HY-P11720

M104 peptide	Beta-lactamase Bacterial	Infection
M104 peptide is an OXA-48 carbapenemase inhibitor and antibiotic potentiator. M104 peptide effectively blocks the binding and active site cavity of OXA-48 . M104 peptide restores Meropenem (HY-13678)’s antibacterial activity against OXA-48-producing Klebsiella pneumoniae. M104 peptide can be used for the research of Carbapenem-resistant Klebsiella pneumoniae infection .

HY-181562

WRN-IN-24	DNA/RNA Synthesis	Cancer
WRN-IN-24 is an orally active allosteric covalent Werner syndrome helicase (WRN) inhibitor with an IC₅₀ of 201 nM. WRN-IN-24 binds to a novel allosteric cavity, forms an additional hydrogen bond with K894, and functionally inhibits WRN activity. WRN-IN-24 inhibits colorectal cancer cells proliferation and exerts dose-dependent antitumor activity in xenograft mouse models. WRN-IN-24 can be used for the research of microsatellite instability-high cancers, including colorectal cancer .

HY-113658

ts-SA	Endogenous Metabolite	Others
ts-SA is a carbonic anhydrase (CA) inhibitor with activity against seven human CA homologues. ts-SA can bind to the Zn(II) ion in the enzyme active site in a deprotonated form. The organic skeleton of ts-SA extends in the enzyme cavity and participates in multiple interactions with amino acid residues and water molecules. Due to its structural differences, the inhibitory performance of ts-SA is significantly better than that of another pyridine derivative. ts-SA exhibits low nanomolar inhibitory activity and is a multi-target CA inhibitor .

HY-153149

LJ-2698	Adenosine Receptor Apoptosis PGC-1α	Metabolic Disease Inflammation/Immunology
LJ-2698 is an orally active adenosine A3 receptor antagonist. LJ-2698 induces increased levels of anti-inflammatory cytokines in macrophages and significantly elevates the number of anti-inflammatory M2 macrophages in the lung. LJ-2698 prevents alveolar cavity enlargement, restores pulmonary function, inhibits matrix metalloproteinase activity and pulmonary cell apoptosis in the lung tissues of mice. LJ-2698 prevents renal injury, inhibits renal lipid accumulation, and increases PGC1α levels in renal tissues of mice with diabetic nephropathy. LJ-2698 is applicable to the research of emphysema and diabetic nephropathy .

HY-183329

Tubulin polymerization-IN-92	Microtubule/Tubulin Apoptosis	Cancer
Tubulin polymerization-IN-92, an analog of KX-01 (HY-10340), is a potent orally active tubulin polymerization inhibitor that binds tubulin with a K_a of 1.29 μM. Tubulin polymerization-IN-92 simultaneously occupies the colchicine site in β-tubulin and a cavity in α-tubulin. Tubulin polymerization-IN-92 exerts antiproliferative activity, induces G2/M cell cycle arrest and apoptosis in cancer cells. Tubulin polymerization-IN-92 inhibits tumor growth in mouse xenograft models. Tubulin polymerization-IN-92 can be used for the research of colon cancer, cervical cancer, and Paclitaxel (HY-B0015)-resistant ovarian cancer .

Cat. No.	Product Name	Target	Research Area

HY-P11720

M104 peptide	Beta-lactamase Bacterial	Infection
M104 peptide is an OXA-48 carbapenemase inhibitor and antibiotic potentiator. M104 peptide effectively blocks the binding and active site cavity of OXA-48 . M104 peptide restores Meropenem (HY-13678)’s antibacterial activity against OXA-48-producing Klebsiella pneumoniae. M104 peptide can be used for the research of Carbapenem-resistant Klebsiella pneumoniae infection .

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-I0096

Indole-2-carboxylic acid	Ketones, Aldehydes, Acids Endogenous metabolite Source Classification	iGluR HIV HIV Integrase
Indole-2-carboxylic acid (I2CA) is a competitive antagonist of the glycine site of the NMDA receptor (K_i=15 μM, 5-fluoro-I2CA) and an inhibitor of HIV-1 integrase. Indole-2-carboxylic acid is selective for the glycine site of the NMDA receptor and blocks the enhancement of NMDA receptor by competitively inhibiting the binding of glycine to the NMDA receptor. Indole-2-carboxylic acid can also inhibit the strand transfer activity of HIV-1 integrase by chelating Mg ²⁺ at the active site of integrase and interacting with the hydrophobic cavity. Indole-2-carboxylic acid can be used in the study of neurological diseases (such as stroke, epilepsy) and HIV-1 infection .

HY-N19854

Mariaterpenoside A	Structural Classification Glycine soya Plants Compositae Saccharides Monosaccharides Source Classification	NO Synthase
Mariaterpenoside A is an inducible nitric oxide synthase (iNOS) inhibitor. Mariaterpenoside A interacts with the active cavity of iNOS protein via hydrogen bonds with specific residues of the binding site. Mariaterpenoside A suppresses NO release in LPS (HY-D1056)-induced murine microglial BV-2 cells. Mariaterpenoside A can be used for the research of neurodegenerative disease .

Cat. No.	Product Name	Chemical Structure

HY-130187S

Sapienic acid-d19
Sapienic acid-d19 is a deuterated labeled Sapienic acid . Sapienic acid is a fatty acid commonly found on the skin and in mucosa. Sapienic acid has variable antimicrobial activities against Gram-positive and Gram-negative bacteria found on the skin and in the oral cavity. Sapienic acid is active against *Streptococcus sanguinis, Streptococcus mitis* and *Fusobacterium nucleatum* with MBC values of 31.3 μg/mL, 375.0 μg/mL and 93.8 μg/mL, respectively .

Sapienic acid-d19

Sapienic acid-d19 is a deuterated labeled Sapienic acid . Sapienic acid is a fatty acid commonly found on the skin and in mucosa. Sapienic acid has variable antimicrobial activities against Gram-positive and Gram-negative bacteria found on the skin and in the oral cavity. Sapienic acid is active against Streptococcus sanguinis, Streptococcus mitis and Fusobacterium nucleatum with MBC values of 31.3 μg/mL, 375.0 μg/mL and 93.8 μg/mL, respectively .

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