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Results for "

hydrogen bonding interactions

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Akt (1) Amylin Receptor (1) Amyloid-β (1) Anaplastic lymphoma kinase (ALK) (1) Apoptosis (3) Arrestin (1) Autophagy (1) Bacterial (2) Bcl-2 Family (1) Biochemical Assay Reagents (2) Caspase (1) Environmental Pollutants (1) Epigenetic Reader Domain (1) ERK (1) Estrogen Receptor/ERR (1) Fat Mass and Obesity-associated Protein (FTO) (1) Fluorescent Dye (1) Fungal (2) Glycosidase (1) Glyoxalase (GLO) (1) HDAC (1) Herbicide (1) HIV (1) HIV Protease (1) iGluR (1) Indoleamine 2,3-Dioxygenase (IDO) (1) Insulin Receptor (1) Interleukin Related (1) Keap1-Nrf2 (1) Ligands for Target Protein for PROTAC (1) Lipase (1) METTL3 (1) Microtubule/Tubulin (1) Mitochondrial Metabolism (1) Mixed Lineage Kinase (1) Monoamine Oxidase (1) Necroptosis (1) Opioid Receptor (1) Phosphodiesterase (PDE) (1) PI3K (1) PKC (1) PROTACs (1) Ras (1) Reactive Oxygen Species (ROS) (2) Reference Standards (2) RIP kinase (1) RNA MTase (1) SARS-CoV (1) SOD (1) Src (2) Tyrosinase (1)
By Research Areas:	Cancer (8) Cardiovascular Disease (1) Infection (7) Inflammation/Immunology (5) Metabolic Disease (6) Neurological Disease (6)

By Targets:

Akt (1)

Amylin Receptor (1)

Amyloid-β (1)

Anaplastic lymphoma kinase (ALK) (1)

Apoptosis (3)

Arrestin (1)

Autophagy (1)

Bacterial (2)

Bcl-2 Family (1)

Biochemical Assay Reagents (2)

Caspase (1)

Environmental Pollutants (1)

Epigenetic Reader Domain (1)

ERK (1)

Estrogen Receptor/ERR (1)

Fat Mass and Obesity-associated Protein (FTO) (1)

Fluorescent Dye (1)

Fungal (2)

Glycosidase (1)

Glyoxalase (GLO) (1)

HDAC (1)

Herbicide (1)

HIV (1)

HIV Protease (1)

iGluR (1)

Indoleamine 2,3-Dioxygenase (IDO) (1)

Insulin Receptor (1)

Interleukin Related (1)

Keap1-Nrf2 (1)

Ligands for Target Protein for PROTAC (1)

Lipase (1)

METTL3 (1)

Microtubule/Tubulin (1)

Mitochondrial Metabolism (1)

Mixed Lineage Kinase (1)

Monoamine Oxidase (1)

Necroptosis (1)

Opioid Receptor (1)

Phosphodiesterase (PDE) (1)

PI3K (1)

PKC (1)

PROTACs (1)

Ras (1)

Reactive Oxygen Species (ROS) (2)

Reference Standards (2)

RIP kinase (1)

RNA MTase (1)

SARS-CoV (1)

SOD (1)

Src (2)

Tyrosinase (1)

By Research Areas:

Cancer (8)

Cardiovascular Disease (1)

Infection (7)

Inflammation/Immunology (5)

Metabolic Disease (6)

Neurological Disease (6)

Inhibitors & Agonists

Screening Libraries

Fluorescent Dyes

Peptides

Natural
Products

Targets Recommended: Na+/H+ Exchanger (NHE)

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-W127329

12-Hydroxystearic acid	Biochemical Assay Reagents	Others
12-Hydroxystearic acid is a structurally simple and cost-effective low molecular weight organogelator, and its metal salts and derivatives find roles in many important applications .

HY-151108

IDO1/TDO-IN-4 1 Publications Verification	Indoleamine 2,3-Dioxygenase (IDO)	Neurological Disease Inflammation/Immunology
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 .

HY-W039897

Methyl α-D-mannopyranoside 1 Publications Verification α-Methyl-D-mannoside	Environmental Pollutants Bacterial	Infection
Methyl α-D-mannopyranoside (α-Methyl-D-mannoside) is a methyl glycoside derivative and conformational stabilizer of α-D-mannopyranose. The glycosidic bond conformation of Methyl α-D-mannopyranoside is significantly affected by the environment. In aqueous solution, Methyl α-D-mannopyranoside stabilizes into a trans conformation via intermolecular hydrogen bonds; in the gas phase, however, steric interactions drive Methyl α-D-mannopyranoside to prefer a clockwise gauche conformation. Methyl α-D-mannopyranoside also serves as a major component of secondary cell wall polymers in some bacteria and an active precursor site for virus-targeted glycoproteins. Methyl α-D-mannopyranoside acts as an acceptor substrate for alternansucrase, mediating the transfer of D-glucopyranosyl groups to generate a variety of glycosylated oligosaccharide products, with methyl α-D-glucopyranosyl-(1→6)-α-D-mannopyranoside as the main component. Methyl α-D-mannopyranoside is applicable to studies on bacterial pathogenic mechanisms associated with mannose-specific fimbrial lectins .

HY-121930

Coumarin 6H	Fluorescent Dye	Inflammation/Immunology
Coumarin 6H, a Coumarin (HY-N0709) derivative, is a laser dye. The fluorescence emission of Coumarin 6H can be enhanced by hydrogen bonding interactions .

HY-107207

Kaempferol 3-neohesperidoside 3 Publications Verification Kaempferol 3-O-neohesperidoside	Insulin Receptor PI3K PKC	Metabolic Disease
Kaempferol 3-neohesperidoside (Kaempferol 3-O-neohesperidoside) is a flavonoid. Kaempferol 3-neohesperidoside mimics insulin action via the PI3K/PKC pathway, significantly promoting glucose uptake and increasing muscle glycogen content in rat soleus muscles. Kaempferol 3-neohesperidoside also exhibits anti-glycation activity. Kaempferol 3-neohesperidoside binds to albumin through hydrogen bonding and hydrophobic interactions, and inhibits the formation of advanced glycation end products. Kaempferol 3-neohesperidoside can be used in studies of diabetes and its related complications .

HY-177063

IL-6-IN-2	Interleukin Related	Infection Inflammation/Immunology
IL-6-IN-2 is an interleukin-6 (IL-6) inhibitor. IL-6-IN-2 binds to IL-6 at Lys66, Phe74, Gln175, Ser176, and Arg179 via π-π, π-alkyl, hydrogen bond, and hydrophobic interactions to block IL-6/IL-6R heterocomplex formation. IL-6-IN-2 exhibits low gastrointestinal absorption rate. IL-6-IN-2 can be used for the research of cytokine release syndrome, covid-19 .

HY-172997

GluN1/3A-IN-1	iGluR	Neurological Disease
GluN1/3A-IN-1 (Compound GM-10) is a GluN1/GluN3A NMDA receptor inhibitor. GluN1/3A-IN-1 exhibits potent inhibitory activity against GluN1/GluN3A (IC₅₀: 0.98 µM). GluN1/3A-IN-1 exerts its inhibitory effect by targeting the pre-M1 region and forming hydrogen bond interactions with key residues. GluN1/3A-IN-1 can be used to study GluN1/GluN3A-related neurological diseases .

HY-N4031

Humantenine	Anaplastic lymphoma kinase (ALK) METTL3	Inflammation/Immunology
Humantenine is a highly toxic indole alkaloid from Gelsemium elegans (Gardn. & Champ.) Benth. that binds to RNA m6A modification regulatory proteins (ALKBH5, METTL). Humantenine stably binds via hydrogen bonding and hydrophobic interactions and disrupts the m6A methylation level of target genes, thereby impairing the expression of intestinal epithelial cell tight junction and cytoskeleton-related genes, causing intestinal barrier dysfunction and significant intestinal cytotoxicity. The intraperitoneal injection LD₅₀ values of Humantenine are <1 mg/kg in mice, 1.2 mg/kg in male rats and 1.5 mg/kg in female rats, respectively. Species differences exist in the metabolism of Humantenine in human, porcine, goat and rat liver microsomes, and demethylation, dehydrogenation and oxidation occur in liver microsomes .

HY-176892

Papaveroline	Src	Neurological Disease
Papaveroline is an orally active Fyn tyrosine kinase inhibitor. Papaveroline stably binds to the active site of Fyn tyrosine kinase via hydrogen bonding and hydrophobic interactions, thereby inhibiting kinase activity associated with the pathogenesis of Alzheimer's disease. Papaveroline can be used for the research of Alzheimer's disease .

HY-N10219

Dihydroaltenuene B	Tyrosinase Fungal	Infection
Dihydroaltenuene B is a potent mushroom tyrosinase inhibitor with an IC₅₀ of 38.33 µM. Dihydroaltenuene B shows the hydrogen bonding interactions between the 3-OH and 4’-OH and the His244, Met280 and Gly281 residues of tyrosinase .

HY-121125

Aucubigenin	Others	Others
Aucubigenin, the aglycone of the iridoid glycoside aucubin, has been characterized through X-ray diffraction analysis. Its crystal structure reveals monoclinic symmetry with specific conformations adopted by its cyclopentane and pyran rings. The study also determined the absolute configurations of both aucubin and aucubigenin. Significant O-H O hydrogen bonding interactions were observed in the crystal lattices of both compounds, highlighting their structural stability and potential for intermolecular interactions .

HY-150579

Keap1-Nrf2-IN-13	Keap1-Nrf2	Inflammation/Immunology Cancer
Keap1-Nrf2-IN-13 is a Keap1-Nrf2 protein–protein interaction (PPI) inhibitor with an IC₅₀ value of 0.15 μM. Keap1-Nrf2-IN-13 has strong binding affinities to the Keap1 protein by forming **hydrogen bond** with the key polar residues (Asn414, Arg415, Arg483, Gln530). Keap1-Nrf2-IN-13 can be used in the research of oxidative stress-related and inflammatory diseases, including pulmonary fibrosis, chronic obstructive pulmonary disorder (COPD) and cancers .

HY-W127329R

12-Hydroxystearic acid (Standard)	Reference Standards Others	Others
12-Hydroxystearic acid (Standard) is the analytical standard of 12-Hydroxystearic acid. This product is intended for research and analytical applications. 12-Hydroxystearic acid is a structurally simple and cost-effective low molecular weight organogelator, and its metal salts and derivatives find roles in many important applications .

HY-156405

FTO-IN-10	Fat Mass and Obesity-associated Protein (FTO) Autophagy	Metabolic Disease
FTO-IN-10 (compound 7) is a potent human demethylase FTO (the fat mass and obesity-associated protein) inhibitor with an IC₅₀ of 4.5 μM. FTO-IN-10 enters the FTO’s structural domain II binding pocket through hydrophobic and hydrogen bonding interactions. FTO-IN-10 induces DNA damage and autophagic cell death in A549 cells .

HY-150772

Tubulin/HDAC-IN-1	Microtubule/Tubulin HDAC Apoptosis Mitochondrial Metabolism	Cancer
Tubulin/HDAC-IN-1 is a dual tubulin and HDAC-IN-1 inhibitor through CH/π interaction with tubulin and hydrogen bond interaction with HDAC8. Tubulin/HDAC-IN-1 inhibits tubulin polymerization and selectively inhibits HDAC8 (IC₅₀: 150 nM). Tubulin/HDAC-IN-1 has cytotoxicity against various human cancer cells, also arrests cell cycle in the G2/M phase and induces cell apoptosis. Tubulin/HDAC-IN-1 can be used in the research of hematologic and solid tumors such as neuroblastoma, leukemia .

HY-146464

Antifungal agent 30	Fungal	Infection
Antifungal agent 30 (compound A18) is a potent antifungal agent. Antifungal agent 30 shows excellent antifungal activity against Candida albicans (CPCC400616) and Aspergillus fumigatus, with MIC of 0.03 and 0.5 μg/mL, respectively. Antifungal agent 30 also shows excellent antifungal activity against fluconazole-resistant strains. The potent antifungal activity of Antifungal agent 30 mainly causes by hydrogen and coordination bond interaction with the CYP51 .

HY-107207R

Kaempferol 3-neohesperidoside (Standard) Kaempferol 3-O-neohesperidoside (Standard)	Reference Standards Others	Metabolic Disease
Kaempferol 3-neohesperidoside (Kaempferol 3-O-neohesperidoside) Standard is the analytical standard of Kaempferol 3-neohesperidoside (HY-107207). This product is intended for research and analytical applications. Kaempferol 3-neohesperidoside (Kaempferol 3-O-neohesperidoside) is a flavonoid. Kaempferol 3-neohesperidoside mimics insulin action via the PI3K/PKC pathway, significantly promoting glucose uptake and increasing muscle glycogen content in rat soleus muscles. Kaempferol 3-neohesperidoside also exhibits anti-glycation activity. Kaempferol 3-neohesperidoside binds to albumin through hydrogen bonding and hydrophobic interactions, and inhibits the formation of advanced glycation end products. Kaempferol 3-neohesperidoside can be used in studies of diabetes and its related complications .

HY-W020018

N-Methylacetamide	Biochemical Assay Reagents	Others
N-Methylacetamide is a hydrogen bond-forming agent that mimics the intermolecular interactions of intrinsically disordered proteins. N-Methylacetamide is used to investigate the hydration properties of peptide bonds, peptide bond-water interactions, and the aggregation of intrinsically disordered proteins .

HY-181705

PROTAC RTA Degrader-1	PROTACs Glycosidase	Metabolic Disease
PROTAC RTA Degrader-1 (Compound 3A) is a ricin toxin A chain (RTA) PROTAC degrader. PROTAC RTA Degrader-1 forms stable ternary complexes, maintains sustained hydrogen bonding interactions, and exhibits distinct interaction energy. PROTAC RTA Degrader-1 is applicable to research related to ricin toxin poisoning .

HY-176892A

Papaveroline hydrochloride	Src	Neurological Disease
Papaveroline hydrochloride is an orally active Fyn tyrosine kinase inhibitor. Papaveroline hydrochloride stably binds to the active site of Fyn tyrosine kinase via hydrogen bonding and hydrophobic interactions, thereby inhibiting kinase activity associated with the pathogenesis of Alzheimer's disease. Papaveroline hydrochloride can be used for the research of Alzheimer's disease .

HY-W173361

CBP/p300-IN-24	Epigenetic Reader Domain	Others
CBP/p300-IN-24 (compound 1) is a CBP bromodomain inhibitor with an IC₅₀ of 32 μM and selectivity over BRD4 BD-1 bromodomain.CBP/p300-IN-24 binds to the acetyl lysine binding pocket, forms hydrogen bonds with Asn1168 and a solvent-mediated hydrogen bond with Tyr1125, and forms hydrophobic interactions with Leu1120, Ile1122, and Val1174 .

HY-181779

Pyridomycin-4-F	Bacterial	Infection
Pyridomycin-4-F, Pyridomycin (HY-111402) derivative, is an antimycobacterial agent targeting fatty acid synthesis enzyme InhA (enoyl ACP reductase). Pyridomycin-4-F binds to the pyridomycin binding pocket of InhA, forms hydrogen bond interactions with Lys-165. Pyridomycin-4-F can be used for the research of tuberculosis .

HY-N11721

5-Hydroxyaloin A	SOD Lipase	Metabolic Disease
5-Hydroxyaloin A is a polyphenolic antioxidant agent. 5-Hydroxyaloin A forms hydrogen bonding interactions at lipase’s active site and SOD’s active site with low binding energy. 5-Hydroxyaloin A inhibits microsomal lipid peroxidation induced by ferrous-cysteine, reducing malondialdehyde production. 5-Hydroxyaloin A can be used for the research of obesity .

HY-P11579

TLP-3	SARS-CoV	Infection
TLP-3, Temporin L (HY-P2523) analogue, is a SARS-CoV-2 main protease (Mpro) inhibitor with an IC₅₀ of 7.0 μM. TLP-3 inhibits protease activity through stabilizing hydrogen bonding and hydrophobic interactions with key enzyme residues. TLP-3 can be used for the research of ARS-CoV‑2 infection .

HY-182344

MLKL ligand-2	Ligands for Target Protein for PROTAC Mixed Lineage Kinase	Cancer
MLKL ligand-2 is a mixed lineage kinase domain-like pseudokinase (MLKL) PROTAC ligand with a K_D of 9.408 μM. MLKL ligand-2 forms hydrogen bond networks and hydrophobic interactions with specific MLKL residues, and stabilizes MLKL in hepatic cells. MLKL ligand-2 can be used to synthesize PROTAC MLKL Degrader-3 (HY-182343) .

HY-103084

PDE5-IN-1	Phosphodiesterase (PDE)	Cardiovascular Disease
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 .

HY-181944

RIPK1-IN-40	RIP kinase Necroptosis	Cancer
RIPK1-IN-40 (Compound 51) is a RIPK1 inhibitor and anti-necroptotic agent (with an EC₅₀ of 0.07 μM against necroptosis). RIPK1-IN-40 binds to the kinase domain of RIPK1, forms hydrogen bond interactions with Met95, and establishes additional polar contacts with Asp156 to stabilize binding, thereby inhibiting necroptosis. RIPK1-IN-40 can be used for the research of colorectal cancer .

HY-131660

MAO-B-IN-54	Monoamine Oxidase Amyloid-β Reactive Oxygen Species (ROS)	Neurological Disease
MAO-B-IN-54 is a selective, reversible and competitiv monoamine oxidase B (MAOB) inhibitor with a human IC₅₀ of 0.052 μM and a K_i of 0.028 μM. MAO-B-IN-54 shows weak activity MAOA. MAO-B-IN-54 occupies both the entrance and substrate cavity of MAOB, forming hydrophobic and hydrogen bonding interactions. MAO-B-IN-54 inhibits Aβ aggregation and ROS production. MAO-B-IN-54 can be used for the research of Alzheimer’s disease .

HY-N8075

Artonin U	Estrogen Receptor/ERR	Cancer
Artonin U is an artonin. Artonin U can be isolated from Artocarpus species. Artonin U binds to hERα, as measured by docking score and Prime MM-GBSA binding free energy evaluation. Artonin U can be used in breast cancer research .

HY-W399025

ID110460001	Opioid Receptor Arrestin	Neurological Disease
ID110460001 is a full agonist of μ-opioid receptor and an agonist of δ-opioid receptor. ID110460001 exhibits high intrinsic efficacy for G protein pathway activation of μ-opioid receptor, and this property is not affected by the reduction in receptor quantity. ID110460001 acts only as a very weak partial agonist in the β-arrestin-2 pathway of both receptors, and binds to μ-opioid receptor via a specific mode. The efficacy of ID110460001 in the G protein pathway of δ-opioid receptor is sensitive to changes in receptor quantity. ID110460001 can be used in pain-related research .

HY-N9677

Digalactosyldiacylglycerol	Herbicide	Others
Digalactosyldiacylglycerol is a membrane structure stabilizer that selectively acts on photosystem II light-harvesting complex II (LHCII), serving as a natural bilayer-forming lipid in plant thylakoid membranes. Digalactosyldiacylglycerol constructs a lipid bilayer environment with monogalactosyldiacylglycerol (MGDG) in a 2:1 molar ratio, stabilizing the supramolecular structure of LHCII through interactions such as hydrogen bonding. Its core activity is maintaining thylakoid membrane stacking (grana formation) and supporting photosynthesis-related functions, while also possessing functions in light harvesting assistance and excitation energy quenching regulation under light stress. Digalactosyldiacylglycerol can be used in research on plant photosynthesis mechanisms, thylakoid membrane structure and function regulation, as well as in the construction of artificial photosynthetic systems and the development of plant photoprotection strategies .

HY-181962

ZINC-1000507789	RNA MTase	Cancer
ZINC-1000507789 is a non-covalent and reversible RNA cytosine-5 methyltransferase NSUN2 inhibitor. ZINC-1000507789 is applicable to the research of NSUN2-driven malignancies .

HY-181980

SPB07393SC	Glyoxalase (GLO)	Cancer
SPB07393SC is a glyoxalase-I (Glo-I) inhibitor with an IC₅₀ of 11.1 μM. SPB07393SC is applicable for cancer research .

HY-181888

GRL-142	HIV HIV Protease	Infection
GRL-142 is a potent HIV-1 protease inhibitor capable of crossing the blood-brain barrier. GRL-142 exhibits extremely high inhibitory activity against both wild-type and multidrug-resistant strains (IC₅₀=0.0094 nM). GRL-142 acts synergistically with the P2/P2' segments via a unique scaffold binding mechanism, utilizes fluorine-mediated stable interactions to maintain its bioactive conformation, adapts to p51 HIV-1 protease mutants, and maintains the flap-closed state by directly acting on the flap tip residues. GRL-142 disrupts the flap-water hydrogen bond network of wild-type protease, thereby effectively blocking viral replication. GRL-142 can be used to study HIV-1 infection and the associated neurocognitive disorder (HAND) .

HY-180425

Cloridarol	Amylin Receptor Apoptosis	Metabolic Disease
Cloridarol is a human islet amyloid peptide (hIAPP) inhibitor that prevents its abnormal misfolding and aggregation. Cloridarol can increase cell viability, inhibit apoptosis, and protect islet β-cells from hIAPP-induced cell toxicity. Cloridarol can be used for the research of type 2 diabetes (T2D) .

HY-183355

KRAS G12D-IN-37	Ras ERK Akt Reactive Oxygen Species (ROS) Apoptosis Bcl-2 Family Caspase	Cancer
KRAS G12D-IN-37 is a KRAS ^G12D inhibitor. KRAS G12D-IN-37 shows antiproliferative activity against KRAS ^G12D mutant tumor cells and minimal cytotoxicity toward normal cells. KRAS G12D-IN-37 binds stably to KRAS ^G12D via hydrogen bond interactions with residues His 95, Arg 68, and Asp 12, and inhibits downstream ERK/AKT signaling pathways. KRAS G12D-IN-37 elevates ROS levels, induces apoptosis, disrupts mitochondrial membrane potential. KRAS G12D-IN-37 downregulates the level of anti-apoptotic protein Bcl-2, and upregulates the levels of pro-apoptotic proteins Bax and caspase 3. KRAS G12D-IN-37 can be used for the research of cancer, such as gastric adenocarcinoma and colorectal cancer .

Cat. No.	Product Name

HY-L152

F-Fragments Library	5,123 compounds
19F-NMR has proved to be a detection mode in fragment-based drug discovery (FBDD) for studies of protein structure and interactions. 19F shows high sensitivity for NMR detection, and the exquisite sensitivity of 19F chemical shifts and linewidths to ligand binding all make it a valuable approach in FBDD.F (Fluorine) -Fragments can be used for 19F-NMR detection after binding to target proteins, and can be used as an effective 19F-NMR tool for FBDD. MCE designs a unique collection of 5,123 F-fragments, all of which obey a heuristic rule called the “Rule of Three (RO3)”, in which molecular weight ≤300 Da, the number of hydrogen bond donors (H-donors) ≤3, the number of hydrogen bond acceptors (H-acceptors) is ≤3 and cLogP is ≤3. This F-fragments library is an important source of lead-like drugs.

F-Fragments Library

5,123 compounds

19F-NMR has proved to be a detection mode in fragment-based drug discovery (FBDD) for studies of protein structure and interactions. 19F shows high sensitivity for NMR detection, and the exquisite sensitivity of 19F chemical shifts and linewidths to ligand binding all make it a valuable approach in FBDD.F (Fluorine) -Fragments can be used for 19F-NMR detection after binding to target proteins, and can be used as an effective 19F-NMR tool for FBDD.

MCE designs a unique collection of 5,123 F-fragments, all of which obey a heuristic rule called the “Rule of Three (RO3)”, in which molecular weight ≤300 Da, the number of hydrogen bond donors (H-donors) ≤3, the number of hydrogen bond acceptors (H-acceptors) is ≤3 and cLogP is ≤3. This F-fragments library is an important source of lead-like drugs.

HY-L913

Tyrosine Focused Covalent Fragment Library	104 compounds
Recently, significant advancements in tyrosine-targeting electrophiles have primarily occurred in the field of protein-protein interactions (PPIs), where cysteine residues are often underrepresented and novel chemistries are needed to address these interfaces. In this context, tyrosines are frequently more accessible compared to more buried binding sites. Moreover, they are commonly found at "hot spots," which are functional epitopes of PPIs, with 12.3% of the residues consisting of tyrosines. This prevalence is likely due to the hydrophobic nature of tyrosine, its ability to participate in aromatic π-interactions, and its capacity for hydrogen bonding. Beyond PPIs, some progress has also been made in covalent tyrosine targeting in other areas where more commonly addressed side chains are lacking. Even though tyrosine has a slightly lower pKa value compared to the protonated lysine side chain (approximately 10 vs. 10.5 for the unprotected amino acid side chains), significantly less progress has been made in the development of tyrosine-targeted covalent ligands compared to lysine. This is likely due to the reduced flexibility of the tyrosine side chain and the greater steric hindrance of its hydroxy group, which makes it more challenging to adopt suitable reaction geometries. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 124 fragment molecules which can target tyrosine residue and can be used for fragment-based covalent drug discovery.

Tyrosine Focused Covalent Fragment Library

104 compounds

Recently, significant advancements in tyrosine-targeting electrophiles have primarily occurred in the field of protein-protein interactions (PPIs), where cysteine residues are often underrepresented and novel chemistries are needed to address these interfaces. In this context, tyrosines are frequently more accessible compared to more buried binding sites. Moreover, they are commonly found at "hot spots," which are functional epitopes of PPIs, with 12.3% of the residues consisting of tyrosines. This prevalence is likely due to the hydrophobic nature of tyrosine, its ability to participate in aromatic π-interactions, and its capacity for hydrogen bonding. Beyond PPIs, some progress has also been made in covalent tyrosine targeting in other areas where more commonly addressed side chains are lacking. Even though tyrosine has a slightly lower pKa value compared to the protonated lysine side chain (approximately 10 vs. 10.5 for the unprotected amino acid side chains), significantly less progress has been made in the development of tyrosine-targeted covalent ligands compared to lysine. This is likely due to the reduced flexibility of the tyrosine side chain and the greater steric hindrance of its hydroxy group, which makes it more challenging to adopt suitable reaction geometries.

Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 124 fragment molecules which can target tyrosine residue and can be used for fragment-based covalent drug discovery.

HY-L045

Oxygen Sensing Compound Library	4,029 compounds
Oxygen homeostasis regulation is the most fundamental cellular process for adjusting physiological oxygen variations, and its irregularity leads to various human diseases, including cancer. Hypoxia is closely associated with cancer development, and hypoxia/oxygen-sensing signaling plays critical roles in the modulation of cancer progression. Hypoxia-inducible factor 1 (HIF-1) is a transcription factor that functions as a master regulator of oxygen homeostasis. A variety of HF-1 target genes have been identified thus far which encode proteins that play key roles in critical developmental and physiological processes including angiogenesis/vascular remodeling, erythropoiesis, glucose transport, glycolysis, iron transport, and cell proliferation/survival. HIF-1 is a heterodimeric transcription factor consisting of a constitutively expressed β-subunit and an oxygen-regulated α-subunit. The unique feature of HIF-1 is the regulation of HIF-1α expression and activity based upon the cellular O₂ concentration. Under normoxic conditions, hydroxylation of HIF-1α on these different proline residues is essential for HIF proteolytic degradation by promoting interaction with the von Hippel-Lindau tumor-suppressor protein (pVHL) through hydrogen bonding to the hydroxyproline-binding pocket in the pVHL β-domain. As oxygen levels decrease, hydroxylation of HIF decreases; HIF-1α then no longer binds pVHL, and becomes stabilized, allowing more of the protein to translocate to the cell’s nucleus, where it acts as a transcription factor, upregulating (often within minutes) the production of proteins that stimulate blood perfusion in tissues and thus tissue oxygenation. MCE offers a unique collection of 4,029 oxygen sensing related compounds targeting HIF/HIF Prolyl-Hydroxylase, MAPK/ERK, PI3K/AKT signaling pathways, etc. MCE Oxygen Sensing Compound Library is a useful tool to study hypoxia, oxidative stress and discover new anti-cancer drugs.

Oxygen Sensing Compound Library

4,029 compounds

Oxygen homeostasis regulation is the most fundamental cellular process for adjusting physiological oxygen variations, and its irregularity leads to various human diseases, including cancer. Hypoxia is closely associated with cancer development, and hypoxia/oxygen-sensing signaling plays critical roles in the modulation of cancer progression.

Hypoxia-inducible factor 1 (HIF-1) is a transcription factor that functions as a master regulator of oxygen homeostasis. A variety of HF-1 target genes have been identified thus far which encode proteins that play key roles in critical developmental and physiological processes including angiogenesis/vascular remodeling, erythropoiesis, glucose transport, glycolysis, iron transport, and cell proliferation/survival.

HIF-1 is a heterodimeric transcription factor consisting of a constitutively expressed β-subunit and an oxygen-regulated α-subunit. The unique feature of HIF-1 is the regulation of HIF-1α expression and activity based upon the cellular O₂ concentration. Under normoxic conditions, hydroxylation of HIF-1α on these different proline residues is essential for HIF proteolytic degradation by promoting interaction with the von Hippel-Lindau tumor-suppressor protein (pVHL) through hydrogen bonding to the hydroxyproline-binding pocket in the pVHL β-domain. As oxygen levels decrease, hydroxylation of HIF decreases; HIF-1α then no longer binds pVHL, and becomes stabilized, allowing more of the protein to translocate to the cell’s nucleus, where it acts as a transcription factor, upregulating (often within minutes) the production of proteins that stimulate blood perfusion in tissues and thus tissue oxygenation.

MCE offers a unique collection of 4,029 oxygen sensing related compounds targeting HIF/HIF Prolyl-Hydroxylase, MAPK/ERK, PI3K/AKT signaling pathways, etc. MCE Oxygen Sensing Compound Library is a useful tool to study hypoxia, oxidative stress and discover new anti-cancer drugs.

Coumarin 6H	Fluorescent Dyes
Coumarin 6H, a Coumarin (HY-N0709) derivative, is a laser dye. The fluorescence emission of Coumarin 6H can be enhanced by hydrogen bonding interactions .

Cat. No.	Product Name	Target	Research Area