Search Result

Results for "

active site residues

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Acyltransferase (1) Adenosine Kinase (1) Aldehyde Dehydrogenase (ALDH) (1) Anaplastic lymphoma kinase (ALK) (1) Antibiotic (2) Apoptosis (1) Bacterial (5) Biochemical Assay Reagents (4) Caspase (1) CDK (2) Cholinesterase (ChE) (6) COX (2) Deubiquitinase (1) DNA Methyltransferase (1) DNA/RNA Synthesis (1) EGFR (1) Endogenous Metabolite (2) Enteropeptidase (1) Environmental Pollutants (1) Fungal (4) Glutaminase (1) Glycosidase (1) HCV (1) HCV Protease (1) Herbicide (1) Hippo (MST) (1) HIV (2) HIV Integrase (1) HIV Protease (2) HSP (1) Isotope-Labeled Compounds (1) Mitochondrial Metabolism (1) MMP (1) Monoamine Oxidase (1) NO Synthase (1) p38 MAPK (1) p97 (1) Parasite (2) PKC (1) Prostaglandin Receptor (1) Reference Standards (2) Renin (1) RNA MTase (1) SARS-CoV (3) Ser/Thr Protease (1) Sirtuin (1) Steroid Sulfatase (1) Succinate Dehydrogenase (1) Topoisomerase (1) TrxR (1) Virus Protease (3)
By Research Areas:	Cancer (14) Cardiovascular Disease (4) Infection (18) Inflammation/Immunology (10) Metabolic Disease (9) Neurological Disease (5)

By Targets:

Acyltransferase (1)

Adenosine Kinase (1)

Aldehyde Dehydrogenase (ALDH) (1)

Anaplastic lymphoma kinase (ALK) (1)

Antibiotic (2)

Apoptosis (1)

Bacterial (5)

Biochemical Assay Reagents (4)

Caspase (1)

CDK (2)

Cholinesterase (ChE) (6)

COX (2)

Deubiquitinase (1)

DNA Methyltransferase (1)

DNA/RNA Synthesis (1)

EGFR (1)

Endogenous Metabolite (2)

Enteropeptidase (1)

Environmental Pollutants (1)

Fungal (4)

Glutaminase (1)

Glycosidase (1)

HCV (1)

HCV Protease (1)

Herbicide (1)

Hippo (MST) (1)

HIV (2)

HIV Integrase (1)

HIV Protease (2)

HSP (1)

Isotope-Labeled Compounds (1)

Mitochondrial Metabolism (1)

MMP (1)

Monoamine Oxidase (1)

NO Synthase (1)

p38 MAPK (1)

p97 (1)

Parasite (2)

PKC (1)

Prostaglandin Receptor (1)

Reference Standards (2)

Renin (1)

RNA MTase (1)

SARS-CoV (3)

Ser/Thr Protease (1)

Sirtuin (1)

Steroid Sulfatase (1)

Succinate Dehydrogenase (1)

Topoisomerase (1)

TrxR (1)

Virus Protease (3)

By Research Areas:

Cancer (14)

Cardiovascular Disease (4)

Infection (18)

Inflammation/Immunology (10)

Metabolic Disease (9)

Neurological Disease (5)

Inhibitors & Agonists

Screening Libraries

Biochemical Assay Reagents

Peptides

Natural
Products

Isotope-Labeled Compounds

Targets Recommended: BMI1

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-158301

MY-1B 1 Publications Verification	DNA Methyltransferase RNA MTase	Others
MY-1B is a covalent inhibitor of the RNA Methyltransferase NSUN2 (IC₅₀: 1.3 μM). MY-1B stereoselectively ligands active-site cysteine residues (C271) of NSUN2. MY-1B can stereoselectively and covalently bind to PSME1, disrupting the proteasome regulatory complex and downregulating the presentation of specific MHC-I subtypes .

HY-B2228

Proteinase, Aspergillus oryzae 1 Publications Verification	Biochemical Assay Reagents	Cancer
Proteinase, Aspergillus oryzae is a serine protease that hydrolyzes peptide bonds in protein substrates, preferring alkaline conditions (optimal pH 10.5). It efficiently degrades casein, poly-L-glutamic acid, and poly-L-lysine, with activity irreversibly inhibited by diisopropylfluorophosphate (DFP) and potato inhibitor. This enzyme catalyzes proteolysis via serine residues in its active site, finding applications in food processing (e.g., soy sauce fermentation), detergents, and leather industries due to its high yield in solid-state fermentation and cost-effective production.

HY-12903

Macozinone 5 Publications Verification PBTZ169	Bacterial Antibiotic	Infection
Macozinone (PBTZ169) is a bactericidal benzothiazinone and a potent DprE1 (decaprenylphosphoryl-β-d-ribose 2′-oxidase) inhibitor. Macozinone inhibits the essential flavoprotein DprE1 by forming a covalent bond with the active-site Cys387 residue. Macozinone has antituberculosis effect .

HY-128206

I3MT-3 5 Publications Verification HMPSNE	Hippo (MST)	Metabolic Disease
I3MT-3 (HMPSNE) is a potent, selective, and cell-membrane permeable inhibitor of 3-Mercaptopyruvate sulfurtransferase (3MST) (IC₅₀=2.7 μM). I3MT-3 is inactive for other H2S/sulfane sulfur-producing enzymes.?I3MT-3 targets a persulfurated cysteine residue located in the active site of 3MST .

HY-12412

ML132 NCGC-00183434	Caspase	Inflammation/Immunology Cancer
ML132 (NCGC-00183434) is a selective caspase 1 inhibitor with an IC₅₀ value of 0.023 nM. ML132 has good stability and can be used as a caspase 1 molecular probe. ML132 is applicable to research in the fields of anticancer and anti-inflammatory studies .

HY-157521

AANAT-IN-1	Acyltransferase	Neurological Disease Metabolic Disease
AANAT-IN-1 is an arylalkylamine N-acetyltransferase (AANAT) inhibitor with a sheep AANAT IC₅₀ of 9.9 μM. AANAT-IN-1 binds to the active site of sheep AANAT, interacting with amino acid residues via hydrogen bonds, hydrophobic interactions, ionic interactions, and water bridges, inhibiting the enzyme's catalytic activity. AANAT-IN-1 can be used for the researches of circadian rhythm-associated neuropsychiatric conditions, seasonal affective disorder, and other diseases associated with abnormally elevated melatonin levels .

HY-N1341

Roseoside	HCV HCV Protease DNA/RNA Synthesis Bacterial	Infection
Roseoside is an inhibitor of DNA gyrase and HAV 3C protease, and also inhibits HCV NS5A/B replicase in human systems with an IC₅₀ of 20 μM. Roseoside binds to the active site of enzymes and stabilizes the interaction by forming hydrogen bonds with key amino acid residues. Roseoside inhibits the growth of Gram-positive bacteria, Gram-negative bacteria, and Candida albicans, and interferes with HCV RNA replication in vitro by inhibiting HCV NS5A/B replicase (IC₅₀=20 μM). Roseoside shows no cytotoxicity and serves as a research tool for studies related to bacterial infections, candidiasis, HAV and HCV .

HY-P2759

Thioredoxin reductase TrxR	TrxR	Infection Cardiovascular Disease Inflammation/Immunology Cancer
Thioredoxin reductase (TrxR) is a selenoprotein that plays a central role in cellular redox homeostasis by utilizing highly reactive selenocysteine (Sec) residues exposed to solvents at its active site. Thioredoxin reductase can be used for the study of diverse diseases, from rheumatoid arthritis and ischemia to cancer and parasitic infections .

HY-N10423

Cubebin (-)-Cubebin	Cholinesterase (ChE) Bacterial Fungal Parasite p38 MAPK	Infection Neurological Disease Metabolic Disease Inflammation/Immunology Cancer
Cubebin ((-)-Cubebin), a dibenzyl butyrolactone lignan, is an orally active AChE inhibitor. Cubebin binds to active sites of NF-κB, TNF-α, and TGF-β1 via hydrogen and hydrophobic interactions, obstructing critical residues to inhibit pro-inflammatory or renal fibrosis-related activity. Cubebin enhances p38 MAPK phosphorylation to increase tyrosinase gene expression, stimulating melanogenesis via elevated tyrosinase activity, expression, and mRNA levels. Cubebin reduces oxidative stress via enhanced endogenous antioxidant enzyme activity and inhibited lipid peroxidation, regulates lipid metabolism, improves glycemic control, and exerts renoprotective effects via reduced renal dysfunction markers and improved renal architecture. Cubebin shows antimicrobial activity. Cubebin exerts larvicidal activity against Angiostrongylus cantonensis larvae, with no cytotoxicity toward monkey or human cell lines or Caenorhabditis elegans. Cubebin can be used for the research of diabetic nephropathy, melanoma, colon adenocarcinoma, neuroangiostrongyliasis, Alzheimer’s disease (AD) and depression .

HY-W000854

3-Methoxybenzeneboronic acid 3-Methoxyphenylboronic acid	Biochemical Assay Reagents	Others
3-Methoxybenzeneboronic acid (3-Methoxyphenylboronic acid) is a boronic acid derivative. 3-Methoxybenzeneboronic acid shows best suitable binding pattern at the active site by interacting non-covalently with amino acid residues of proteins. 3-Methoxybenzeneboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research .

HY-175249

TKL-IN-2		Others
TKL-IN-2 is a herbicide and SvTKL inhibitor with an IC₅₀ of 0.11 mg/L. TKL-IN-2 binds to the SvTKL active site, interacts with key pocket residues, and inhibits enzyme activity. TKL-IN-2 can be used for the research of weed control in maize, wheat, soybean, and cotton fields .

HY-B1863

Iprobenfos	Environmental Pollutants Cholinesterase (ChE) Fungal	Infection
Iprobenfos is an organophosphorus fungicide and is widely used to control the rice blast fungus. Iprobenfos can phosphorylate the -OH group on the serine residue in the active (esteratic) site of ChEs and so inhibit both AChE and BChE activity .

HY-124308

PS315	PKC	Cancer
PS315, a derivative of PS48 (HY-15967), is an allosteric PKC inhibitor by binding to the PIF-pocket of aPKC and inducing a displacement of the active site residue Lys111. PS315 inhibits the full-length and catalytic domain constructs of PKC_ζ (IC₅₀=10 μM) and PKC_η (IC₅₀=30 μM). PS315 has anti-cancer activity .

HY-175031

GRL-07524	HIV Protease	Infection
GRL-07524 (Compound 4e) is a potent inhibitor of HIV-1 protease (K_i = 0.22 nM). GRL-07524 contains oxaspirocyclic carbamates as the P2 ligands. GRL-07524 exhibits good antiviral activity with an EC₅₀ = 210 nM. GRL-07524 binds to the HIV-1 PR active site in one of the four symmetry independent molecules along with key catalytic residues .

HY-174438

PSEC13	HSP	Metabolic Disease
PSEC13 is an activator of HSF-1/DAF-16 axis. PSEC13 can upregulate heat shock proteins. PSEC13 can form hydrogen bonds with key residues in the HSP-16.2 active site. PSEC13 can be used to enhance proteostasis and extend lifespan through the modulation of HSP-16.2. PSEC13 could promote the nuclear translocation of daf-16, upgrading the proportion of intermediate. PSEC13 can be studied in research for aging and age-related diseases .

HY-E70628

Aspartic acid proteinase	Biochemical Assay Reagents	Others
Aspartic acid proteinase is a type of proteolytic enzyme, which is characterized by its action via two critical aspartic acid residues in the active site, which facilitate the hydrolysis of peptide bonds in proteins .

HY-158378

Trivalent hydroxyarsinothricn R-AST-OH	Glutaminase	Cancer
Trivalent hydroxyarsinothricn (R-AST-OH) is a covalent and irreversible kidney-type glutaminase (KGA) inhibitor. Trivalent hydroxyarsinothricn binds to the glutamine binding site and forms a covalent bond with an active site cysteine residue. Trivalent hydroxyarsinothricn selectively kills triple-negative breast cancer (TNBC) cells and is not cytotoxic to the control cell line. KGA is the enzyme that controls glutamine metabolism and is correlated with tumor malignancy .

HY-171781

FL-166	SARS-CoV Virus Protease	Infection
FL-166 is a SARS coronavirus main protease (Mpro) inhibitor (K_i: 40 nM). FL-166 exerts its inhibitory effect by targeting a cluster of serine residues near the active site of the protease. FL-166 can be used in the study of SARS-CoV .

HY-137028

2′-Thioadenosine PD157432	EGFR	Cancer
2'-Thioadenosine (PD157432) is a selective and irreversible inhibitor of ErbB-1 and ErbB-2, with an IC₅₀ of 45 µM for ErbB-2. 2'-Thioadenosine covalently inactivates ErbB-1 via modification of a cysteine residue at the active site .

HY-168766

O-Acetylsalicylhydroxamic acid	Prostaglandin Receptor COX	Inflammation/Immunology
O-Acetylsalicylhydroxamic acid is an acetylation inhibitor of prostaglandin H2 synthase that can suppress PGE2 synthesis in the body and block the cyclooxygenase activity of PGHS in vitro. O-Acetylsalicylhydroxamic acid requires the presence of the active site residue Ser-529 to act on human PGHS-1; the S529A mutant is resistant to the inactivation effects of this inhibitor .

HY-B1863R

Iprobenfos (Standard)	Reference Standards Fungal Cholinesterase (ChE)	Infection
Iprobenfos (Standard) is the analytical standard of Iprobenfos (HY-B1863). This product is intended for research and analytical applications. Iprobenfos is an organophosphorus fungicide and is widely used to control the rice blast fungus. Iprobenfos can phosphorylate the -OH group on the serine residue in the active (esteratic) site of ChEs and so inhibit both AChE and BChE activity .

HY-12903R

Macozinone (Standard) PBTZ169 (Standard)	Reference Standards Bacterial Antibiotic	Infection
Macozinone (Standard) is the analytical standard of Macozinone. This product is intended for research and analytical applications. Macozinone (PBTZ169) is a bactericidal benzothiazinone and a potent DprE1 (decaprenylphosphoryl-β-d-ribose 2′-oxidase) inhibitor. Macozinone inhibits the essential flavoprotein DprE1 by forming a covalent bond with the active-site Cys387 residue. Macozinone has antituberculosis effect[1][2].

HY-149350

HIV-1 inhibitor-57	HIV	Infection
HIV-1 inhibitor-57 (Compound 12g) is a HIV inhibitor. HIV-1 inhibitor-57 is active against wild-type and five prevalent NNRTI-resistant HIV-1 strains with EC₅₀ values ranging from 0.024 to 0.0010 μM. HIV-1 inhibitor-57 forms additional interactions with residues around the binding site in HIV-1 RT .

HY-16183A

Echothiopate chloride Echothiophate chloride	Cholinesterase (ChE)	Cardiovascular Disease
Echothiophate (Echothiophate) chloride is a highly effective, long-lasting cholinesterase inhibitor employed as a miotic for managing glaucoma. Echothiopate chloride forms a covalent bond with the serine residue at the active site of cholinesterase through its phosphate group, rendering the enzyme permanently inactive and necessitating the synthesis of new enzymes by the cell. Given its irreversible binding to cholinesterase and the extremely slow rate of hydrolysis, the effects of echothiophate can persist for a week or longer. Echothiopate chloride is utilized as an ocular antihypertensive agent in the treatment of chronic glaucoma and, in certain cases, accommodative esotropia.

HY-159481

SDH-IN-17	Succinate Dehydrogenase Fungal	Infection Inflammation/Immunology
SDH-IN-17 (compound C32), a hydrazide-containing flavonol derivative, is a potent succinate dehydrogenase (SDH) inhibitor with an IC₅₀ of 8.42 μM. SDH-IN-17 can occupy the active site and form strong interactions with the key residues of SDH. SDH-IN-17 exhibits antifungal activity against Rhizoctonia solani (EC₅₀=0.170 μg/mL). SDH-IN-17 disrupts the normal growth of hyphae by affecting the structural integrity of the cell membrane and cellular respiration. SDH-IN-17 has the potential for plant disease control research .

HY-170557

Topoisomerase IIα-IN-10	Topoisomerase Apoptosis Mitochondrial Metabolism	Cancer
Topoisomerase IIα-IN-10 (Compound 13r) is an inhibitor of Topoisomerase IIα. It binds to the active site of DNA when complexed with Topoisomerase IIα, and this binding is stabilized through interactions with DNA base pairs and amino acid residues. Topoisomerase IIα-IN-10 can induce Apoptosis by intercalating DNA and inhibiting Topoisomerase IIα, thereby disrupting the mitochondrial membrane potential and inhibiting the growth of HCT116 cell lines, with an IC₅₀ of 4.37 μM against HCT116 cells. Topoisomerase IIα-IN-10 can be used for research in the field of cancer treatment .

HY-172965

SARS-CoV-2 Mpro-IN-43	SARS-CoV Virus Protease	Infection Inflammation/Immunology
SARS-CoV-2 Mpro-IN-43 (Compound 1) is a coronavirus main protease (Mpro) inhibitor (IC₅₀: 72 μM). SARS-CoV-2 Mpro-IN-43 interacts with key residues in the active site of Mpro via non-covalent binding, exerting its anti-coronavirus effect. SARS-CoV-2 Mpro-IN-43 exhibits moderate to low cytotoxicity, with CC₅₀ values of 13.24, 41.02, and 42.26 µM in HaCaT, HEK293T, and HepG2 cells, respectively. SARS-CoV-2 Mpro-IN-43 can be used in anti-SARS-CoV-2 research .

HY-N18420

Citriniorl A	Sirtuin	Metabolic Disease
Citriniorl A is a SIRT1 enhancer with an EC₅₀ of 5.8 μM. Citriniorl A binds to key amino acid residues in the SIRT1 active site to stabilize binding and enhance SIRT1-mediated deacetylation. Citriniorl A can be used for the research of metabolic disorders .

HY-E70933

Protease, Streptomyces griseus	Endogenous Metabolite	Metabolic Disease
Protease, Streptomyces griseus, exhibits broad substrate specificity. Its active site consists of one aspartic acid residue, one histidine residue, and one serine residue. Protease tends to hydrolyze the peptide bond on the carboxyl side of glutamate or aspartate.

HY-P2820D

β-Phosphoglucomutase	Biochemical Assay Reagents	Others
β-Phosphoglucomutase (EC 5.4.2.6) requires Mg2+ and phosphorylation of an aspartate residue at the active site. The enzyme is able to autophosphorylate itself with its substrate β-D-glucose 1-phosphate.

HY-180522

4F-PMPH	COX	Inflammation/Immunology
4F-PMPH is a COX-II inhibitor with anti-inflammatory activity. 4F-PMPH binds to the active site of COX-II by forming key interactions with residues such as Val102, Tyr341, and Leu338 .

HY-180567

PAC-Phe-Val	HIV Protease	Infection Inflammation/Immunology
PAC-Phe-Val is a potent HIV-1 protease inhibitor with an IC₅₀ value of 33.10 nM. PAC-Phe-Val forms stable and strong interactions with critical active site residues, contributing to its high inhibitory potency. PAC-Phe-Val can be used for HIV/AIDS research .

HY-181139

ALK5-IN-86	Anaplastic lymphoma kinase (ALK)	Metabolic Disease
ALK5-IN-86 (Compound 22f) is a selective ALK5 inhibitor with an IC₅₀ of 0.267 μM. ALK5-IN-86 forms hydrogen bonds with key amino acid residues in the active site of ALK5. ALK5-IN-86 is applicable to the research of diseases such as liver fibrosis .

HY-183362

Antileishmanial agent-42	Parasite Adenosine Kinase	Infection
Antileishmanial agent-42 is an antileishmanial agent. Antileishmanial agent-42 has favorable interactions with key active site residues (e.g., Ser63, Asn66/295/299) of adenosine kinase. Antileishmanial agent-42 exerts activity against promastigote and amastigote forms of L. amazonensis, L. braziliensis, L. infantum, and L. donovani .

HY-N19854

Mariaterpenoside A	NO Synthase	Neurological Disease
Mariaterpenoside A is an inducible nitric oxide synthase (iNOS) inhibitor. Mariaterpenoside A interacts with the active cavity of iNOS protein via hydrogen bonds with specific residues of the binding site. Mariaterpenoside A suppresses NO release in LPS (HY-D1056)-induced murine microglial BV-2 cells. Mariaterpenoside A can be used for the research of neurodegenerative disease .

HY-181141

AChE/MAO-B-IN-8	Cholinesterase (ChE) Monoamine Oxidase	Neurological Disease
AChE/MAO-B-IN-8 is an acetylcholinesterase (AChE) and monoamine oxidase B (MAO-B) inhibitor with IC₅₀ values of 0.72 and 0.19 μM. AChE/MAO-B-IN-8 interactions with AChE and MAO-B active-site amino acid residues. AChE/MAO-B-IN-8 can be used for the research of Alzheimer’s disease .

HY-183076

AW00718	Bacterial	Infection
AW00718 is a Brachyspira pilosicoli glutamate racemase (Bp-MurI) inhibitor. AW00718 binds to Bp-MurI active site residues, forming stable hydrogen bonds and interactions with conserved amino acids in the enzyme’s binding cavity. AW00718 exerts antibacterial and bactericidal activity against Brachyspira pilosicoli in vitro. AW00718 can be used for the research of intestinal spirochaetosis .

HY-115373

RO314724	MMP	Inflammation/Immunology
RO314724 is a selective MMP-1 inhibitor. RO314724 chelates to the catalytic zinc ion within the active site of MMP-1 and forms a stable complex with MMP-1. RO314724 can be used for the research of osteoarthritis .

HY-181408

Steroid sulfatase-IN-11	Steroid Sulfatase	Cancer
Steroid sulfatase-IN-11 is a steroid sulfatase inhibitor, which functionally inhibits steroid sulfatase activity, reducing the enzyme's ability to hydrolyze steroid sulfates. Steroid sulfatase-IN-11 can be used for the research of hormone-dependent cancers .

HY-W000854S

3-Methoxybenzeneboronic acid-d3 3-Methoxyphenylboronic acid-d₃	Isotope-Labeled Compounds	Others
3-Methoxybenzeneboronic acid-d₃ is the deuterium labeled 3-Methoxybenzeneboronic acid (HY-W000854). 3-Methoxybenzeneboronic acid (3-Methoxyphenylboronic acid) is a boronic acid derivative. 3-Methoxybenzeneboronic acid shows best suitable binding pattern at the active site by interacting non-covalently with amino acid residues of proteins. 3-Methoxybenzeneboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research .

HY-183698

CDK9-IN-51	CDK	Cancer
CDK9-IN-51 is a CDK9 inhibitor. CDK9-IN-51 binds stably to purified CDK9 protein via interactions with key active-site residues Cys106, Asp109, and Phe103. CDK9-IN-51 exhibits antiproliferative activity against multiple cancer cells. CDK9-IN-51 can be used for the research of cancer, such as lung carcinoma, cervical carcinoma and breast carcinoma .

HY-127083

Artecanin	SARS-CoV Virus Protease	Infection
Artecanin is a SARS-CoV-2 main protease (M ^pro) inhibitor with predicted high gastrointestinal absorption and oral bioavailability, and no predicted hepatotoxicity, carcinogenicity, mutagenicity or cytotoxicity. Artecanin interacts with His41 and Cys145, the key amino acid residues in the active site of M ^pro, blocks the cleavage and maturation of viral precursor proteins, and forms a stable complex with M ^pro. Artecanin blocks the invasion of SARS-CoV-2. Artecanin is applicable to the research of COVID-19 .

HY-181116

Anticancer agent 298	CDK	Cancer
Anticancer agent 298 is a bi-nuclear Cu(II)-hydrazone complexe. Anticancer agent 298 can bind to the CDK-2 active site (PDB ID: 3IG7) via hydrogen bonds with key amino acid residues. Anticancer agent 298 exerts cytotoxic effects against hepatocellular carcinoma cells, and has lower cytotoxicity against normal human embryonic kidney cells. Anticancer agent 298 can be used for the research of hepatocellular carcinoma .

HY-N17394

Melineurine	Cholinesterase (ChE)	Neurological Disease
Melineurine is a reversible mixed-type acetylcholinesterase inhibitor, with an IC₅₀ of 95.3 μM against AChE and an IC₅₀ of 28.0 μM against BChE. Melineurine is applicable to the research of Alzheimer's disease .

HY-113658

ts-SA	Endogenous Metabolite	Others
ts-SA is a carbonic anhydrase (CA) inhibitor with activity against seven human CA homologues. ts-SA can bind to the Zn(II) ion in the enzyme active site in a deprotonated form. The organic skeleton of ts-SA extends in the enzyme cavity and participates in multiple interactions with amino acid residues and water molecules. Due to its structural differences, the inhibitory performance of ts-SA is significantly better than that of another pyridine derivative. ts-SA exhibits low nanomolar inhibitory activity and is a multi-target CA inhibitor .

HY-123883

MK-0536	HIV HIV Integrase	Infection
MK-0536 is a highly potent HIV-1 integrase inhibitor that effectively suppresses the replication of wild-type viruses. MK-0536 retains significant antiviral activity against multiple key drug-resistant mutants such as Y143R and N155H, and shows no toxicity to uninfected cells. MK-0536 selectively blocks the strand transfer reaction of integrase by chelating magnesium ions at the active site and interacting with viral DNA and enzyme residues. MK-0536 is applicable to the study of HIV infection mechanisms .

HY-115894

DapL-IN-1	Herbicide	Infection
DapL-IN-1 is an inhibitor of L,L-diaminoheptanoic acid aminotransferase (DapL) with the characteristics of inhibiting DapL activity in bacteria and plants. DapL-IN-1 can be used to design and discover new biocides such as antibiotics, herbicides or algaecides with the potential to be non-toxic to animals. DapL-IN-1 shows differential sensitivity in inhibiting different DapL homologues, which can provide important information for further drug development. DapL-IN-1 may affect its biological activity by affecting the interaction with residues adjacent to the active site, which may lead to different binding modes .

HY-118460

ACJI-99C VCP/p97-IN-PPA	p97	Cancer
ACJI-99C (VCP/p97-IN-PPA) is a selective covalent p97/VCP ATPase inhibitor with an IC₅₀ value of 0.6 μM. ACJI-99C binds with p97 active site residues to block ATPase activity. ACJI-99C irreversibly blocks degradation of p97-dependent protein in cells. ACJI-99C inhibits proliferation of cancer cells, including p97 inhibitor-resistant lines. ACJI-99C can be used for the research of colorectal cancer .

HY-182636

MT16-001	Deubiquitinase Aldehyde Dehydrogenase (ALDH)	Metabolic Disease Inflammation/Immunology Cancer
MT16-001 is a cell-permeable UCHL1 inhibitor with an IC₅₀ value of 580 nM. MT16-001 also exhibits considerable inhibitory activity against USP30, and shows selectivity for other UCH family deubiquitinases (DUBs) as well as the broader proteome. MT16-001 binds covalently to the cysteine residue at the active site of UCHL1, and forms covalent interactions with ALDH2, ALDH9A1 and GATD3A in intact cells. Meanwhile, as a cytotoxic agent, it displays a steep dose-response curve in human embryonic kidney cells. MT16-001 can be used for research on various cancers, liver fibrosis and pulmonary fibrosis .

HY-117641

CP 81282	Ser/Thr Protease	Cardiovascular Disease
CP 81282 is a tripeptide aspartic protease inhibitor, with an IC₅₀ of 1 nM against human renin and an IC₅₀ of 11 nM against endopeptidase. CP 81282 is applicable to the research of hypertension .

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.

HY-LD004

DEL Covalent Library

14 million compounds

DEL technology enables the simultaneous screening of millions or billions of compounds in a single tube by covalently linking each small molecule with a unique DNA sequence. Traditional DEL screening primarily focuses on identifying non-covalent binding molecules, where interactions with the target are reversible. In contrast, DNA‑encoded covalent library is an ultra‑high‑throughput screening library developed on the basis of conventional DNA‑encoded library technology. It incorporates controllable electrophilic covalent warheads capable of forming irreversible covalent bonds with amino acid residues at the active sites of target proteins, including Cys, Lys, Ser, Tyr, and others. This covalent binding enhances binding affinity, prolongs residence time at the target site, and has the potential to overcome challenges associated with traditional non-covalent inhibitors, such as drug resistance or off-target effects.

Each compound in the library contains both a binding domain and an electrophilic warhead. It first recognizes and binds to the target through non covalent interactions, and then forms a stable covalent bond with key amino acid residues to achieve irreversible inhibition. This library is specifically designed for the discovery of potent, long lasting, and highly selective covalent inhibitors, particularly for undruggable targets such as kinases, GPCRs, proteases, and mutant oncoproteins. Each molecule is uniquely labeled with a DNA barcode for molecular identification and sequencing decoding.

This library is an advanced and highly diverse collection, consists of 35 independent sub-libraries with a total scaleof 14 million compounds, It incorporates over 14 experimentally validated covalent warheads capable of targeting cysteine, lysine, arginine, aspartic acid and glutamic acid. This library is constructed with diverse drug like core scaffolds and integrated controllable covalent warheads, it features structural diversity, reaction spec

Cat. No.	Product Name	Type

HY-B2228

Proteinase, Aspergillus oryzae

1 Publications Verification

Biochemical Assay Reagents

Proteinase, Aspergillus oryzae is a serine protease that hydrolyzes peptide bonds in protein substrates, preferring alkaline conditions (optimal pH 10.5). It efficiently degrades casein, poly-L-glutamic acid, and poly-L-lysine, with activity irreversibly inhibited by diisopropylfluorophosphate (DFP) and potato inhibitor. This enzyme catalyzes proteolysis via serine residues in its active site, finding applications in food processing (e.g., soy sauce fermentation), detergents, and leather industries due to its high yield in solid-state fermentation and cost-effective production.

HY-134136A

Octanoyl coenzyme A lithium	Biochemical Assay Reagents
Octanoyl coenzyme A lithium is an enoyl-CoA hydratase binder. Octanoyl coenzyme A lithium binds to the active site of enoyl-CoA hydratase, occupies the binding pocket for the fatty acid tail of the enzyme's substrate, and induces a conformational shift in a flexible protein loop via its longer octanoyl chain, forming an open channel leading to the inter-trimer gap .

HY-W000854

3-Methoxybenzeneboronic acid 3-Methoxyphenylboronic acid	Biochemical Assay Reagents
3-Methoxybenzeneboronic acid (3-Methoxyphenylboronic acid) is a boronic acid derivative. 3-Methoxybenzeneboronic acid shows best suitable binding pattern at the active site by interacting non-covalently with amino acid residues of proteins. 3-Methoxybenzeneboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research .

Cat. No.	Product Name	Target	Research Area

HY-P5513

Aquaporin-2 (254-267), pSER261, human	Peptides	Others
Aquaporin-2 (254-267), pSER261, human is a biological active peptide. (This peptide is a fragment of the human aquaporin-2 (AQP2) phosphorylated at Ser261. Protein phosphorylation plays a key role in vasopressin signaling in renal-collecting duct. Phosphorylation at several AQP2 residues including Ser256 and Ser261, is altered in response to vasopressin. It is possible that both sites are involved in vasopressin-dependent AQP2 trafficking.)

HY-P5427

EAC3I	Peptides	Others
EAC3I is a biological active peptide. (The autocamtide-3 derived inhibitory peptide (EAC3I) sequence (KKALHRQEAVDAL) mimics the autoinhibitory region of the CaMKII regulatory domain (residues 278–290) and acts by competitively binding to the catalytic site.)

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 .

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-N10423

Cubebin (-)-Cubebin	Structural Classification Classification of Application Fields Lignans Piperaceae Piper cubeba L.f. Phenylpropanoids Plants Inflammation/Immunology Disease Research Fields Source Classification	Cholinesterase (ChE) Bacterial Fungal Parasite p38 MAPK
Cubebin ((-)-Cubebin), a dibenzyl butyrolactone lignan, is an orally active AChE inhibitor. Cubebin binds to active sites of NF-κB, TNF-α, and TGF-β1 via hydrogen and hydrophobic interactions, obstructing critical residues to inhibit pro-inflammatory or renal fibrosis-related activity. Cubebin enhances p38 MAPK phosphorylation to increase tyrosinase gene expression, stimulating melanogenesis via elevated tyrosinase activity, expression, and mRNA levels. Cubebin reduces oxidative stress via enhanced endogenous antioxidant enzyme activity and inhibited lipid peroxidation, regulates lipid metabolism, improves glycemic control, and exerts renoprotective effects via reduced renal dysfunction markers and improved renal architecture. Cubebin shows antimicrobial activity. Cubebin exerts larvicidal activity against Angiostrongylus cantonensis larvae, with no cytotoxicity toward monkey or human cell lines or Caenorhabditis elegans. Cubebin can be used for the research of diabetic nephropathy, melanoma, colon adenocarcinoma, neuroangiostrongyliasis, Alzheimer’s disease (AD) and depression .

HY-N18420

Citriniorl A	Structural Classification Natural Products Microorganisms Coumarins Phenylpropanoids Source Classification	Sirtuin
Citriniorl A is a SIRT1 enhancer with an EC₅₀ of 5.8 μM. Citriniorl A binds to key amino acid residues in the SIRT1 active site to stabilize binding and enhance SIRT1-mediated deacetylation. Citriniorl A can be used for the research of metabolic disorders .

HY-N19854

Mariaterpenoside A	Structural Classification Glycine soya Plants Compositae Saccharides Monosaccharides Source Classification	NO Synthase
Mariaterpenoside A is an inducible nitric oxide synthase (iNOS) inhibitor. Mariaterpenoside A interacts with the active cavity of iNOS protein via hydrogen bonds with specific residues of the binding site. Mariaterpenoside A suppresses NO release in LPS (HY-D1056)-induced murine microglial BV-2 cells. Mariaterpenoside A can be used for the research of neurodegenerative disease .

HY-127083

Artecanin	Structural Classification Natural Products Laurus nobilis L. Plants Lauraceae Source Classification	SARS-CoV Virus Protease
Artecanin is a SARS-CoV-2 main protease (M ^pro) inhibitor with predicted high gastrointestinal absorption and oral bioavailability, and no predicted hepatotoxicity, carcinogenicity, mutagenicity or cytotoxicity. Artecanin interacts with His41 and Cys145, the key amino acid residues in the active site of M ^pro, blocks the cleavage and maturation of viral precursor proteins, and forms a stable complex with M ^pro. Artecanin blocks the invasion of SARS-CoV-2. Artecanin is applicable to the research of COVID-19 .

HY-N17394

Melineurine	Structural Classification Alkaloids Rutaceae Quinoline Alkaloids Melicope pteleifolia (Champ. ex Benth.) Hartley Plants Source Classification	Cholinesterase (ChE)
Melineurine is a reversible mixed-type acetylcholinesterase inhibitor, with an IC₅₀ of 95.3 μM against AChE and an IC₅₀ of 28.0 μM against BChE. Melineurine is applicable to the research of Alzheimer's disease .

Cat. No.	Product Name	Chemical Structure

HY-W000854S

3-Methoxybenzeneboronic acid-d3

3-Methoxybenzeneboronic acid-d₃ is the deuterium labeled 3-Methoxybenzeneboronic acid (HY-W000854). 3-Methoxybenzeneboronic acid (3-Methoxyphenylboronic acid) is a boronic acid derivative. 3-Methoxybenzeneboronic acid shows best suitable binding pattern at the active site by interacting non-covalently with amino acid residues of proteins. 3-Methoxybenzeneboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research .

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