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Results for "

S4 pockets

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Enteropeptidase (1) Renin (1) SARS-CoV (3) Ser/Thr Protease (1) Virus Protease (2)
By Research Areas:	Cancer (1) Cardiovascular Disease (1) Infection (3) Inflammation/Immunology (1)

Inhibitors & Agonists

Screening Libraries

Peptides

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-185463

β-Tryptase-IN-1	Ser/Thr Protease	Inflammation/Immunology
β-Tryptase-IN-1 is a selective β-tryptase inhibitor with a K_i of 10 nM. β-Tryptase-IN-1 binds to the inducible S4 ⁺ pocket unique to β-tryptase. β-Tryptase-IN-1 can be used for the researches of asthma and chronic obstructive pulmonary disease (COPD) .

HY-P1609

CP-69799	Renin Enteropeptidase	Cardiovascular Disease
CP-69799 is an azahomostatine-containing oligopeptide transition-state analogue inhibitor with a hog renin IC₅₀ of 6e-9 M, human plasma renin IC₅₀ of 3e-7 M and K_i of 0.310 μM, and endothiapepsin K_i of 0.27 μM. CP-69799 binds endothiapepsin’s active site cleft in extended conformation, fills S4 to S3' pockets, displaces native solvent molecules, induces domain rotation, and reduces thermal mobility of endothiapepsin’s flap and helix regions. CP-69799 acts as a transition-state analogue inhibitor of hog renin and human plasma renin. CP-69799 contains a polar lysine residue at the P2' position, with a nitrogen atom replacing the P1' Cα atom of the hydroxyethylene dipeptide isostere. CP-69799 can be used for the research of hypertension .

HY-181262

SARS-CoV-2 PLpro-IN-4	SARS-CoV Virus Protease	Infection
SARS-CoV-2 PLpro-IN-4 is a SARS-CoV-2 papain-like protease (PL ^Pro) inhibitor with an IC₅₀ of 0.4 μM. SARS-CoV-2 PLpro-IN-4 binds to the S3 and S4 pockets of SARS-CoV-2 PL ^Pro, thereby functionally inhibiting its activity. SARS-CoV-2 PLpro-IN-4 exhibits antiviral activity and can be used in research on COVID-19 .

HY-180405

UAWJ-247	SARS-CoV Virus Protease	Infection
UAWJ-247 is a potent and reversible SARS-CoV-2 main protease (Mpro) inhibitor with an IC₅₀ of 0.042 μM and a K_i of 0.035 μM. UAWJ-247 can be used for the research of covid-19 .

HY-181489

SARS-CoV-2 3CLpro-IN-35	SARS-CoV	Infection Cancer
SARS-CoV-2 3CLpro-IN-35 is a SARS-CoV-2 3CLpro inhibitor with an IC₅₀ of 0.15 μM. SARS-CoV-2 3CLpro-IN-35 inhibits the proliferation of bladder cancer cells, exerts anti-SARS-CoV-2 activity, and exhibits low cytotoxicity in fibroblasts. SARS-CoV-2 3CLpro-IN-35 is applicable to research related to SARS-CoV-2 infection and bladder cancer .

Cat. No.	Product Name

HY-L925

Cysteine Protease Focused Library	9,192 compounds
Cysteine proteases (CPs), a key enzyme family regulating physiological metabolism and mediating pathological processes (such as abnormal bone resorption, tumour invasion, and pathogen infection), represent a core therapeutic target for developing specific inhibitors in disease intervention. Currently reported CP inhibitors primarily achieve their inhibitory function by precisely binding to CP active pockets (e.g., S1-S4 non-primed regions or S1'-S2' primed regions) and forming covalent/non-covalent interactions with the active site cysteine residues, providing clear structural references for the development of novel inhibitors. This compound library, designed based on the core strategy of "similarity-based known active structures", contains over 200 cysteine protease inhibitors. Leveraging AI-driven molecular screening technology, it retains the critical pharmacological and shape features of reported CP inhibitors, serving as a specialized tool for efficiently discovering novel cysteine protease inhibitors.

Cysteine Protease Focused Library

9,192 compounds

Cysteine proteases (CPs), a key enzyme family regulating physiological metabolism and mediating pathological processes (such as abnormal bone resorption, tumour invasion, and pathogen infection), represent a core therapeutic target for developing specific inhibitors in disease intervention. Currently reported CP inhibitors primarily achieve their inhibitory function by precisely binding to CP active pockets (e.g., S1-S4 non-primed regions or S1'-S2' primed regions) and forming covalent/non-covalent interactions with the active site cysteine residues, providing clear structural references for the development of novel inhibitors.

This compound library, designed based on the core strategy of "similarity-based known active structures", contains over 200 cysteine protease inhibitors. Leveraging AI-driven molecular screening technology, it retains the critical pharmacological and shape features of reported CP inhibitors, serving as a specialized tool for efficiently discovering novel cysteine protease inhibitors.

Cat. No.	Product Name	Target	Research Area

HY-P1609

CP-69799	Renin Enteropeptidase	Cardiovascular Disease
CP-69799 is an azahomostatine-containing oligopeptide transition-state analogue inhibitor with a hog renin IC₅₀ of 6e-9 M, human plasma renin IC₅₀ of 3e-7 M and K_i of 0.310 μM, and endothiapepsin K_i of 0.27 μM. CP-69799 binds endothiapepsin’s active site cleft in extended conformation, fills S4 to S3' pockets, displaces native solvent molecules, induces domain rotation, and reduces thermal mobility of endothiapepsin’s flap and helix regions. CP-69799 acts as a transition-state analogue inhibitor of hog renin and human plasma renin. CP-69799 contains a polar lysine residue at the P2' position, with a nitrogen atom replacing the P1' Cα atom of the hydroxyethylene dipeptide isostere. CP-69799 can be used for the research of hypertension .

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BODIPY 493/503 purchased from MedChemExpress. Usage Cited in: Nat Commun. 2025 Feb 1;16(1):1241. [Abstract]

MedchemExpress Validation 01

Western blot analysis of extracts from THP-1(lane 2(20μg), Jurkat (lane 3(20μg) and NIH3T3(lane 4(20μg) using FOXO1A (HY-P80132) Rabbit mAb. Proteins were transferred to a PVDF membrane and blocked with 5% non-fat milk in TBST for 2 hour at room temperature. The primary antibody (1/1000) and Loading control antibody (Beta Actin, HY-P80438, 1/10000) was used in 5% non-fat milk in TBST at 4°C overnight. Goat Anti-Mouse/Rabbit IgG-HRP Secondary Antibody (1/10000) was used for 1 hour at room temperature. Western blot analysis of extracts from THP-1(lane 2(20μg), Jurkat (lane 3(20μg) and NIH3T3(lane 4(20μg) using FOXO1A (HY-P80132) Rabbit mAb. Proteins were transferred to a PVDF membrane and blocked with 5% non-fat milk in TBST for 2 hour at room temperature. The primary antibody (1/1000) and Loading control antibody (Beta Actin, HY-P80438, 1/10000) was used in 5% non-fat milk in TBST at 4°C overnight. Goat Anti-Mouse/Rabbit IgG-HRP Secondary Antibody (1/10000) was used for 1 hour at room temperature. Western blot analysis of extracts from THP-1(lane 2(20μg), Jurkat (lane 3(20μg) and NIH3T3(lane 4(20μg) using FOXO1A (HY-P80132) Rabbit mAb. Proteins were transferred to a PVDF membrane and blocked with 5% non-fat milk in TBST for 2 hour at room temperature. The primary antibody (1/1000) and Loading control antibody (Beta Actin, HY-P80438, 1/10000) was used in 5% non-fat milk in TBST at 4°C overnight. Goat Anti-Mouse/Rabbit IgG-HRP Secondary Antibody (1/10000) was used for 1 hour at room temperature.

BODIPY 493/503 purchased from MedChemExpress. Usage Cited in: Nat Commun. 2025 Feb 1;16(1):1241. [Abstract]

MedchemExpress Validation 01

MedchemExpress Validation 03

Western blot analysis of extracts from THP-1(lane 2(20μg), Jurkat (lane 3(20μg) and NIH3T3(lane 4(20μg) using FOXO1A (HY-P80132) Rabbit mAb. Proteins were transferred

MedchemExpress Validation 04

MedchemExpress Validation

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