54 Results for "

hydrogen-bonding interactions

" in MedChemExpress (MCE) Product Catalog:
Products (54)

54 Results for "hydrogen-bonding interactions" in MCE Product Catalog:

Cat. No.: HY-184494
Target:  

Gli PKC

Research Areas:  

Metabolic Disease Cancer

GLI-IN-1 is a potent, PKC-dependent Gli inhibitor. GLI-IN-1 binds to the C1 domain of PKC, forms hydrogen-bonding interactions with the M239 residue, and mediates the inhibition of downstream Gli via a PKC-mediated, Smoothened-independent mechanism. GLI-IN-1 can be used in studies of Gli-driven cancers and osteogenic differentiation .
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Cat. No.: HY-187677
CAS No.: 94159-34-9
Target:  

PCSK9 LDLR

Research Areas:  

Metabolic Disease

PCSK9-IN-36 is a PCSK9 inhibitor and a flavonoid glycoside derivative. PCSK9-IN-36 binds stably within the surface groove of PCSK9 through hydrophobic interactions involving its flavonoid scaffold and an electrostatic hydrogen-bonding network formed by its polar glycosidic group, thereby competitively blocking the interaction between PCSK9 and the low-density lipoprotein receptor (LDLR). PCSK9-IN-36 can be used for research on hypercholesterolemia .
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Cat. No.: HY-W020018
CAS No.: 79-16-3
Research Areas:  

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 .
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Cat. No.: HY-N20729
CAS No.: 99633-12-2
Eucommin A is a natural polyphenolic antioxidant. Eucommin A forms stable complexes with EGFR and MAPK8 via hydrogen bonding and hydrophobic interactions, and regulates osteoarthritis-related Autophagy. Eucommin A is applicable to research related to oxidative stress, such as osteoarthritis .
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Cat. No.: HY-181705
Target:  

PROTACs Glycosidase

Research Areas:  

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 .
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Cat. No.: HY-176892A
CAS No.: 28362-21-2
Target:  

Src

Research Areas:  

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 .
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Cat. No.: HY-P11916
VH9 is a Free radical scavenger. VH9 binds to the active pocket of Keap1, blocks the interaction between Keap1 and Nrf2, and activates the Keap1-Nrf2 antioxidant pathway. VH9 inhibits ROS production. VH9 scavenges ABTS and DPPH free radicals through hydrogen bonding and hydrophobic interactions. VH9 protects cells from oxidative stress damage .
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Cat. No.: HY-167233
CAS No.: 2229043-40-5
Research Areas:  

Infection

NPD-039 is a selective tetrahydrophthalazinone-class TbrPDEB1 inhibitor with a Ki of 99 nM. NPD-039 occupies the hydrophobic clamp and the parasite-specific P-pocket of TbrPDEB1, and its glycinamide tail forms direct and water-mediated hydrogen bond interactions within the P-pocket. NPD-039 can be used in related research on Human African Trypanosomiasis .
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Cat. No.: HY-181779
Target:  

Bacterial

Research Areas:  

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 .
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Cat. No.: HY-N11721
CAS No.: 138373-23-6
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 .
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Cat. No.: HY-187377
Target:  

Glycosidase

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 .
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Cat. No.: HY-182344
MLKL ligand-2 is a mixed lineage kinase domain-like pseudokinase (MLKL) PROTAC ligand with a KD 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) .
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Cat. No.: HY-187996
Target:  

P-glycoprotein

Research Areas:  

Cardiovascular Disease

P-gp-IN-37 is a ligand of P-glycoprotein (P-gp), with an EC50 value of 1.8 μM. P-gp-IN-37 stabilizes the inward-facing conformation of P-gp through hydrogen bonding and π-stacking interactions, and can be used as a PET radiotracer for imaging the function and expression of P-gp. P-gp-IN-37 is applied in the research of heart failure .
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Cat. No.: HY-P11579
Target:  

SARS-CoV

Research Areas:  

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 .
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Cat. No.: HY-184140
Research Areas:  

Others

AChE-IN-117 is an AChE/nAChR inhibitor with larvicidal activity against Culex pipiens third-instar larvae. AChE-IN-117 forms stable catalytic site interactions to disrupt cholinergic signaling. AChE-IN-117 binds to its receptor via hydrogen bonding and π-cation interactions to interfere with cholinergic synaptic transmission. AChE-IN-117 induces neurotoxic symptoms including hyperactivity, erratic movement, tremors, paralysis, and larval mortality. AChE-IN-117 can be used for the research of mosquito-borne infectious diseases .
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Cat. No.: HY-189400
CAS No.: 77491-07-7
Target:  

Amylases

Research Areas:  

Metabolic Disease

α-Amylase Ligand 1 is a human pancreatic α-amylase binder with a Kd of 53.55 μM. α-Amylase Ligand 1 binds within the catalytic site through hydrogen bonding and hydrophobic interactions with active site residues. α-Amylase Ligand 1 is predicted to be orally active with a good safety profile. α-Amylase Ligand 1 can be used for diabetes-related research .
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Cat. No.: HY-103084
CAS No.: 2109805-65-2
Research Areas:  

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 .
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Cat. No.: HY-N19906
CAS No.: 70522-30-4
Psoralenol is a binder with strong binding affinity for ACTB and AKT1. Psoralenol forms stable complexes with ACTB and AKT1 through hydrogen bonding and protein interactions. Psoralenol exhibits larvicidal activity against brine shrimp. Psoralenol inhibits methicillin-resistant Staphylococcus aureus, Vibrio parahaemolyticus, Candida albicans, and Pseudomonas aeruginosa. Psoralenol can be used in research related to chronic obstructive pulmonary disease, bacterial infections, and fungal infections .
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Cat. No.: HY-181944
Target:  

RIP kinase Necroptosis

Research Areas:  

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 .
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Cat. No.: HY-187676
Synonyms: CaGA
Target:  

Fungal

Research Areas:  

Infection

Cardio-green butyl acetate (CaGA) is a potent antifungal fungicide, with a K value of 3.20 × 10 4 M -1 for binding to Ergosterol in fungal cell membranes. Cardio-green butyl acetate binds specifically and non-covalently to Ergosterol in fungal cell membranes via hydrogen bonding and hydrophobic interactions, triggering local thinning of the cell membrane, disordered lipid arrangement, and content leakage. Cardio-green butyl acetate can be used in studies related to Candida albicans infections .
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