Search Result

Results for "

S1' pockets

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Cathepsin (1) Dipeptidyl Peptidase (2) GLP Receptor (2) MMP (6) Nucleoside Antimetabolite/Analog (1) P-glycoprotein (2) Parasite (1) Proteasome (1) Reference Standards (1) SARS-CoV (3) Virus Protease (1)
By Research Areas:	Cancer (6) Infection (4) Inflammation/Immunology (3) Metabolic Disease (2) Neurological Disease (1)

Inhibitors & Agonists

Screening Libraries

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-100359

CL-82198 Maximum Cited Publications 8 Publications Verification	MMP	Inflammation/Immunology Cancer
CL-82198 is a selective inhibitor of MMP-13. CL-82198 binds to the entire S1’ pocket of MMP-13, which is the basis for its selectivity towards MMP-13 and the lack of inhibitory activities against other MMPs . CL-82198 is a pharmacologic treatment for preventing osteoarthritis (OA) progression .

HY-103444

ARP-100 1 Publications Verification	MMP	Cancer
ARP-100 is a potent and selective matrix metalloproteinase MMP-2 inhibitor (IC₅₀=12 nM). ARP-100 interacts with S1＇ pocket of MMP-2 and shows anti-invasive properties in an in vitro model of invasion on matrigel. ARP-100 shows the less inhibitory activity towards MMP-1 (>50 μM), MMP-3 (4.5 μM), MMP-7 (>50 μM), and MMP-9 (0.2 μM) .

HY-114091

PF-00356231 hydrochloride 2 Publications Verification	MMP	Inflammation/Immunology
PF-00356231 hydrochloride is a specific, non-peptidic, non-zinc chelating ligand and inhibitor of matrix metalloproteinase MMP-12 (IC₅₀=1.4 μM). PF-00356231 hydrochloride binds to MMP-12 and forms PF-00356231/MMP-12 complex. PF-00356231 hydrochloride shows potency against MMP-13, MMP-8, MMP-9, MMP-3 with IC₅₀s of 0.00065, 1.7, 0.98, 0.39 μM, respectively .

HY-115741

3BrB-PP1	Nucleoside Antimetabolite/Analog	Neurological Disease Cancer
3BrB-PP1 is an ATP-competitive analog. 3BrB-PP1 can specifically inhibit the activity of protein kinase with mutations in the ATP-binding pocket (mutation of Thr97 within Sty1’s ATP-binding pocket) .

HY-168591

CTSC-IN-1	Cathepsin	Cancer
CTSC-IN-1 (B22) is a CTSC inhibitor. CTSC-IN-1 inhibits CTSC activity by binding to S2 pocket and S1 site. CTSC-IN-1 can be used in the study inflammatory bowel disease .

HY-110046

CL-82198 hydrochloride	MMP	Others
CL-82198 hydrochloride is a selective inhibitor of MMP-13. CL-82198 hydrochloride binds to the entire S1’ pocket of MMP-13, which is the basis of its selectivity against MMP-1, MMP-9, and TACE .

HY-10289

Carmegliptin RO-4876904	Dipeptidyl Peptidase GLP Receptor P-glycoprotein	Metabolic Disease
Carmegliptin (RO-4876904) is an orally active and potent DPP IV inhibitor with a human DPP IV IC₅₀ of 6.8 nM. Carmegliptin binds to the S1 pocket of DPP IV, blocks the degradation of GLP 1, potentiates endogenous GLP 1, increases plasma insulin levels, alleviates hyperglycemia, improves glucose tolerance. Carmegliptin acts as a substrate for human P glycoprotein without inhibiting the transporter, shows low in vitro cell permeability. Carmegliptin can be used for the research of type 2 diabetes, non insulin dependent diabetes mellitus .

HY-103444R

ARP-100 (Standard)	Reference Standards MMP	Cancer
ARP-100 (Standard) is the analytical standard of ARP-100. This product is intended for research and analytical applications. ARP-100 is a potent and selective matrix metalloproteinase MMP-2 inhibitor (IC50=12 nM). ARP-100 interacts with S1＇ pocket of MMP-2 and shows anti-invasive properties in an in vitro model of invasion on matrigel. ARP-100 shows the less inhibitory activity towards MMP-1 (>50 μM), MMP-3 (4.5 μM), MMP-7 (>50 μM), and MMP-9 (0.2 μM) .

HY-182024

SARS-CoV-2 3CLpro-IN-36	SARS-CoV Virus Protease	Infection
SARS-CoV-2 3CLpro-IN-36 is a SARS-CoV-2 3CLpro inhibitor and antiviral agent with a human sub-micromolar IC₅₀ against SARS-CoV-2 3CLpro.SARS-CoV-2 3CLpro-IN-36 forms a covalent bond with catalytic Cys145 of SARS-CoV-2 3CLpro; its tetrazole core occupies the S1 pocket and interacts with His163, while its chloroacetamide carbonyl forms hydrogen bonds with the backbone amides of Gly143 and Ser144 in the oxyanion hole.SARS-CoV-2 3CLpro-IN-36 reduces SARS-CoV-2 replication in infected cells.SARS-CoV-2 3CLpro-IN-36 can be used for the research of SARS-CoV-2 infection .

HY-10289A

Carmegliptin hydrochloride RO-4876904 hydrochloride	Dipeptidyl Peptidase GLP Receptor P-glycoprotein	Metabolic Disease
Carmegliptin hydrochloride (RO-4876904 hydrochloride) is an orally active and potent DPP‑IV inhibitor with a human DPP‑IV IC₅₀ of 6.8 nM. Carmegliptin hydrochloride binds to the S1 pocket of DPP‑IV, blocks the degradation of GLP‑1, potentiates endogenous GLP‑1, increases plasma insulin levels, alleviates hyperglycemia, improves glucose tolerance. Carmegliptin hydrochloride acts as a substrate for human P‑glycoprotein without inhibiting the transporter, shows low in vitro cell permeability. Carmegliptin hydrochloride can be used for the research of type 2 diabetes, non‑insulin‑dependent diabetes mellitus .

HY-182428

UAWJ248	SARS-CoV	Infection
UAWJ248 is a SARS-CoV-2 main protease (M ^pro) inhibitor with an IC₅₀ of 0.012 μM. UAWJ248 inhibits activity via initial reversible binding followed by irreversible inactivation. UAWJ248 inhibits SARS-CoV-2 replication and can be used for the research of SARS-CoV-2 infection .

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 .

HY-181698

MMP13-IN-6	MMP	Inflammation/Immunology
MMP13-IN-6 (Compound 10a) is a MMP-13 inhibitor with a K_i value of 40 nM against hMMP-13. MMP13-IN-6 can be used in the research of osteoarthritis and rheumatoid arthritis .

HY-183009

Pf20S-IN-1	Proteasome Parasite	Infection
Pf20S-IN-1 is a selective inhibitor of the 20S proteasome β5 subunit of Plasmodium falciparum. Pf20S-IN-1 exhibits antiparasitic activity against Plasmodium falciparum, with an EC₅₀ of 20.1 nM against the Plasmodium falciparum W2 strain. Pf20S-IN-1 shows weak inhibitory effect on human 20S proteasome, has no obvious toxicity to human foreskin fibroblasts (HFF), and has a selectivity index > 25000. Pf20S-IN-1 can be used in malaria research .

Cat. No.	Product Name

HY-L925

Cysteine Protease Focused Library	9,188 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

9,188 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.

Inquiry Online

Your information is safe with us. * Required Fields.

MCE Japan Authorized Agent ナミキ商事株式会社コスモ・バイオ株式会社重松貿易株式会社
Salutation			Country or Region *
Applicant Name *			Organization Name *
Department *
Email Address *			Product Name *
Cat. No.			Requested quantity *
Phone Number *
Remarks

Inquiry Online

Inquiry Information

Product Name:
Cat. No.:
Quantity:
MCE Japan Authorized Agent:

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

We use cookies

MedChemExpress values your privacy and your trust is important to us. We use cookies to enhance your website experience. Some cookies are necessary to run the website. Privacy and Cookie Policy

Name
Email *

	Sorry, but the email address you supplied was invalid.