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X-ray crystallography

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By Targets:	Aldose Reductase (1) Antibiotic (1) Bacterial (3) Biochemical Assay Reagents (3) Calcium Channel (1) Carbonic Anhydrase (1) Casein Kinase (1) Cathepsin (1) Cholecystokinin Receptor (1) Dopamine Receptor (1) Drug Derivative (1) Drug Intermediate (1) Epigenetic Reader Domain (1) Galectin (1) HIV Protease (1) IAP (1) Ligands for E3 Ligase (1) p38 MAPK (1) PARP (1) SARS-CoV (1) Tim3 (1) Virus Protease (1) YAP (1)
By Research Areas:	Cancer (9) Cardiovascular Disease (1) Infection (4) Inflammation/Immunology (3) Metabolic Disease (3) Neurological Disease (3)
Click Chemistry:	PROTAC Synthesis (1)

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Click Chemistry

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-13720

Pergolide 1 Publications Verification LY127809 free base	Dopamine Receptor Drug Derivative	Cardiovascular Disease Neurological Disease Metabolic Disease
Pergolide (LY127809 free base), an Ergoline derivative, is a potent and orally active dopamine D₁ and D₂ receptor agonist. Pergolide can be used for Parkinson's disease and hyperprolactinaemia research .

HY-P2931

Triosephosphate isomerase TPI	Biochemical Assay Reagents	Metabolic Disease Cancer
Triosephosphate isomerase (TPI) is a biocatalyst that interconverts dihydroxyacetone phosphate and D-glyceraldehyde-3-phosphate. Triosephosphate isomerase utilises Glu167 as catalytic base, mediates proton shuttling, and stabilises a cis-enediolate intermediate via loop-6 and loop-7 closure to shield its catalytic site. Triosephosphate isomerase can be used for the research of triosephosphate isomerase deficiency .

HY-164634

CLIK-148	Cathepsin Cholecystokinin Receptor	Neurological Disease Metabolic Disease Cancer
CLIK-148 is a highly selective, irreversible and orally active cysteine protease inhibitor, primarily targeting Cathepsin L. CLIK-148 effectively inhibits the Cathepsin L-dependent degradation of HMG-CoA reductase in the endoplasmic reticulum (ER) membrane. CLIK-148 inhibits the processing of proCCK by Cathepsin L, thereby reducing the production of CCK8 (HY-P0093). CLIK-148 inhibits the degradation of type I collagen by osteoclasts' secreted Cathepsin L, reducing tumor-induced bone metastasis and malignant hypercalcemia. CLIK-148 can be used for the studies of bone metabolism disorders and regulation of neuropeptide processing .

HY-177767

EY-CBS	Biochemical Assay Reagents	Others
EY-CBS is a synthetic and rigid cross linker. EY-CBS reacts selectively with cysteines in a-helices, to stabilize the connecting helix. EY-CBS can be used for the study of the structural stability of protein polypeptides .

HY-179395

TEAD-IN-23	YAP	Cancer
TEAD-IN-23 (Compound 22) is an efficient pan-TEAD inhibitor with an IC₅₀ of 10 nM. TEAD-IN-23 exhibits potent anti-proliferative activity in both NCI-H226 and MSTO-211H. TEAD-IN-23 causes complete tumor regression in the MSTO-211H xenograft tumor model. TEAD-IN-23 can be used for the study of mesothelioma and hepatocellular carcinoma .

HY-111333

Pyrroxamycin Dioxapyrrolomycin; LL-F42248α; AL-R2081	Bacterial	Infection
Pyrroxamycin is a novel antibiotic produced by Streptomyces, whose chemical structure was determined by chemical properties and X-ray crystallography and 13C NMR spectroscopy analysis. It is active against Gram-positive bacteria and dermatophytes. In this paper, the authors discuss the taxonomy, fermentation, isolation, physicochemical properties, chemical structure, and biological activity of the strain producing Pyrroxamycin.

HY-P2138

U-85548E	HIV Protease	Others
U-85548E is an HIV protease inhibitor with nanomolar affinity for HIV-1 aspartic protease. By studying its structure-activity relationship, a potent nanomolar inhibitor with inhibitory effects on both HIV-1 and HIV-2 proteases was designed, and its binding mode was studied by X-ray crystallography and molecular modeling.

HY-101136

Dealanylascamycin AT-265	Antibiotic Carbonic Anhydrase Bacterial	Infection
Dealanylascamycin (AT-265) (Compound 2) is a nucleoside antibiotic. AT 265 is a carbonic anhydrase (CA) inhibitor, with K_i values of 167, 65.2, 234, and 143 nM for hCA I, hCA II, hCA IV, and hCA IX respectively. Dealanylascamycin is the active form of Ascamycin (HY-121071). Dealanylascamycin exhibits broad-spectrum antibacterial activity and is effective against pathogenic bacteria such as Xanthomonas citri (MIC = 0.4 μg/mL). Dealanylascamycin has high cytotoxicity .

HY-123853

CAM4066	Casein Kinase	Cancer
CAM4066 is a potent CK2α inhibitor, with an IC₅₀ value of 300 nM. CAM4066 exhibits high selectivity, with IC₅₀ values of 22.35, 43.55, and > 50 μM for HIPK3, DAPK3, and CLK2, respectively. CAM4066 shows no cell activity. CAM4066 can be used for the development of highly potent CK2 inhibitors .

HY-W250179

Hexaethylene glycol monohexadecyl ether Polyoxyethylene (6) cetyl ether	Biochemical Assay Reagents	Others
Hexaethylene glycol monohexadecyl ether, is a nonionic surfactant belonging to the polyethylene glycol (PEG) ether family. It has a hydrophilic head and a lipophilic tail, which makes it suitable for a wide range of applications. Specifically, Hexaethylene glycol monohexadecyl ether is commonly used in membrane protein research, for solubilization and stabilization of proteins, and for structural analysis techniques such as X-ray crystallography and electron microscopy. Additionally, Hexaethylene glycol monohexadecyl ether is used in a variety of other industrial and research applications, including drug delivery systems, nanotechnology, and diagnostic analysis. Its unique properties make it ideal for facilitating interactions between molecules with different physicochemical properties.

HY-119642

Kopsinine	Others	Others
Kopsinine is an indole alkaloid extracted from periwinkle flowers .

HY-124432

CRT0093964	Aldose Reductase	Cancer
CRT0093964 is an isoform-selective non-carboxylate inhibitor of AKR1C3 (IC₅₀=0.11 μM) with no activity against AKR1C1, AKR1C2, AKR1C4, COX-1, and COX-2.CRT0093964 can be used for the research of leukemia, hormone-related cancers, colon cancer .

HY-179349

PARP-1/2-IN-5	PARP	Neurological Disease Inflammation/Immunology
PARP-1/2-IN-5 (Compound 12) is a PARP-1/2 inhibitor, with the IC₅₀ values for PARP-1 and PARP-2 being 118 and 11 nM respectively. PARP-1/2-IN-5 can be used for the study of inflammatory diseases and neurodegenerative disorders .

HY-W069974

Ca2+ -Langerin-IN-1	Calcium Channel	Inflammation/Immunology
Ca2+-Langerin-IN-1 (Compound 3) is a allosteric Langerin inhibitor. Langerin is a C-type lectin that is expressed on Langerhans cells and plays a crucial role in pathogen recognition and innate immune activation. The K_D value of the CRD domain of murine Langerin protein for Ca2+-Langerin-IN-1 is 17 μM under the presence of Ca²⁺ and 53 μM under the absence of Ca²⁺ competition. Ca2+-Langerin-IN-1 induces conformational changes and competitively replaces Ca²⁺, thereby inhibiting the carbohydrate recognition function of the protein. Ca2+-Langerin-IN-1 can be used in the research of immunomodulatory therapy .

HY-18882

p38α-IN-11	p38 MAPK	Cancer
P38α-IN-11 (Compound 16c) is a p38α inhibitor with a K_D value of 586 nM. P38α-IN-11 can be used for research on cervical cancer .

HY-N19839

Kiwiionoside Stratioside II	Drug Intermediate	Others
Kiwiionoside (Stratioside II) is a glycoside compound found in kiwifruit. Kiwiionoside can be used as a drug intermediate .

HY-171537

TIM-3-ligand-1	Tim3	Inflammation/Immunology
TIM-3-ligand-1 (Compound 35) is a highly efficient and selective TIM-3 ligand with a K_i value of 156 nM. TIM-3-ligand-1 can be used for research in immunotherapy .

HY-183248

BRDT-IN-2	Epigenetic Reader Domain	Cancer
BRDT-IN-2 is a BRDT-BD1-preferring inhibitor (K_i=10 μM) with higher affinity for BRDT-BD1 than BRD4-BD1. BRDT-IN-2 preferentially binds BRDT-BD1 without direct interaction with BRDT-BD1’s Arg54 residue. BRDT-IN-2 binds BRD4-BD1 with lower affinity via structured water molecule displacement in its binding pocket. BRDT-IN-2 can be used for the research of multiple myeloma .

HY-181530

IAP ligand 6	IAP	Cancer
IAP ligand 6 (A250) is an IAP ligand with a K_a value of 0.1 μM for the human XIAP BIR3 domain. IAP ligand 6 binds to the XIAP BIR3 domain and serves as an alkynylpyridine scaffold for the preparation of TEAD degraders that recruit IAP. IAP ligand 6 is applicable to research related to mesothelioma .

HY-182983

DDB1 ligand-1	Ligands for E3 Ligase	Others
DDB1 ligand-1 is a DNA damage-binding protein 1 (DDB1) ligand. DDB1 ligand-1 binds to a unique pocket on the β propeller C (BPC) domain of DDB1, induces conformational changes, and blocks the canonical DCAF/HBx peptide binding site of DDB1. DDB1 ligand-1 engages full-length DDB1 in cellular settings and supports PROTAC development research .

HY-182049

Antibacterial agent 332	Bacterial	Infection
Antibacterial agent 332 is an inhibitor of DsbA from Escherichia coli (EcDsbA). Antibacterial agent 332 reduces the swarming motility of Escherichia coli without affecting bacterial growth. Antibacterial agent 332 can be used in the research of bacterial infections caused by Escherichia coli .

HY-183582

GB1841	Galectin	Cancer
GB1841 is an orally active and selective galectin inhibitor with human galectin-1 K_d of 0.027 μM, human galectin-3 K_d of 0.14 μM, mouse galectin-1 K_d of 0.034 μM and mouse galectin-3 K_d of 1.170 μM. GB1841 can be used for the research of lung cancer .

HY-179293

SARS-CoV-2 PLpro-IN-3	SARS-CoV Virus Protease	Infection
SARS-CoV-2 PLpro-IN-3 (Compound 15) is a covalent inhibitor of the SARS-CoV-2 papain-like protease (PLpro), with an IC₅₀ of 25 nM. SARS-CoV-2 PLpro-IN-3 has similar inhibitory activity against SARS-CoV PLpro (IC₅₀ = 59 nM), but shows no inhibitory effect on human ubiquitin-specific protease 7 (USP7). The EC₅₀ of SARS-CoV-2 PLpro-IN-3 in inhibiting SARS-CoV-2 replication in cells is 96 nM, significantly reducing the viral titer and viral RNA levels. SARS-CoV-2 PLpro-IN-3 can be used for studying SARS-CoV-2 drug resistance mutations .

Cat. No.	Product Name	Type

HY-W250179

Hexaethylene glycol monohexadecyl ether Polyoxyethylene (6) cetyl ether	Biochemical Assay Reagents
Hexaethylene glycol monohexadecyl ether, is a nonionic surfactant belonging to the polyethylene glycol (PEG) ether family. It has a hydrophilic head and a lipophilic tail, which makes it suitable for a wide range of applications. Specifically, Hexaethylene glycol monohexadecyl ether is commonly used in membrane protein research, for solubilization and stabilization of proteins, and for structural analysis techniques such as X-ray crystallography and electron microscopy. Additionally, Hexaethylene glycol monohexadecyl ether is used in a variety of other industrial and research applications, including drug delivery systems, nanotechnology, and diagnostic analysis. Its unique properties make it ideal for facilitating interactions between molecules with different physicochemical properties.

Hexaethylene glycol monohexadecyl ether

Polyoxyethylene (6) cetyl ether

Biochemical Assay Reagents

Hexaethylene glycol monohexadecyl ether, is a nonionic surfactant belonging to the polyethylene glycol (PEG) ether family. It has a hydrophilic head and a lipophilic tail, which makes it suitable for a wide range of applications. Specifically, Hexaethylene glycol monohexadecyl ether is commonly used in membrane protein research, for solubilization and stabilization of proteins, and for structural analysis techniques such as X-ray crystallography and electron microscopy. Additionally, Hexaethylene glycol monohexadecyl ether is used in a variety of other industrial and research applications, including drug delivery systems, nanotechnology, and diagnostic analysis. Its unique properties make it ideal for facilitating interactions between molecules with different physicochemical properties.

Cat. No.	Product Name	Target	Research Area

HY-P2435

Bz-Nle-Lys-Arg-Arg-AMC	Peptides	Others
Bz-Nle-Lys-Arg-Arg-AMC can be used for protease activity assay. In 0.1mL Tris-HCl buffer (50 mM, pH 7.8), Bz-Nle-Lys-Arg-Arg-AMC was hydrolyzed, and the release rate of AMC was observed .

HY-P2138

U-85548E	HIV Protease	Others
U-85548E is an HIV protease inhibitor with nanomolar affinity for HIV-1 aspartic protease. By studying its structure-activity relationship, a potent nanomolar inhibitor with inhibitory effects on both HIV-1 and HIV-2 proteases was designed, and its binding mode was studied by X-ray crystallography and molecular modeling.

Pyrroxamycin Dioxapyrrolomycin; LL-F42248α; AL-R2081	Microorganisms Antibiotics Source Classification	Bacterial
Pyrroxamycin is a novel antibiotic produced by Streptomyces, whose chemical structure was determined by chemical properties and X-ray crystallography and 13C NMR spectroscopy analysis. It is active against Gram-positive bacteria and dermatophytes. In this paper, the authors discuss the taxonomy, fermentation, isolation, physicochemical properties, chemical structure, and biological activity of the strain producing Pyrroxamycin.

Kopsinine	Apocynaceae Terpenoids Diterpenoids Vinca erecta Regel & Schmalh. Plants Source Classification	Others
Kopsinine is an indole alkaloid extracted from periwinkle flowers .

Kiwiionoside Stratioside II	Structural Classification Phyllanthaceae Glochidion zeylanicum (Gaertn.) A. Juss. Plants Saccharides Monosaccharides Source Classification	Drug Intermediate
Kiwiionoside (Stratioside II) is a glycoside compound found in kiwifruit. Kiwiionoside can be used as a drug intermediate .

Cat. No.	Product Name		Classification

HY-181530

IAP ligand 6		PROTAC Synthesis
IAP ligand 6 (A250) is an IAP ligand with a K_a value of 0.1 μM for the human XIAP BIR3 domain. IAP ligand 6 binds to the XIAP BIR3 domain and serves as an alkynylpyridine scaffold for the preparation of TEAD degraders that recruit IAP. IAP ligand 6 is applicable to research related to mesothelioma .

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X-ray crystallography

Inhibitors & Agonists

Biochemical Assay Reagents

Peptides

NaturalProducts

Click Chemistry

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