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Results for "

active-site interactions

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Acyltransferase (1) Adenosine Kinase (1) Aldehyde Dehydrogenase (ALDH) (3) Amino acid Transporter (1) Apoptosis (2) Bacterial (5) Cathepsin (1) CDK (2) Cholinesterase (ChE) (2) COX (3) Deubiquitinase (1) DNA/RNA Synthesis (1) Drug Derivative (1) Elastase (1) Endogenous Metabolite (1) Environmental Pollutants (1) Factor Xa (1) Fluorescent Dye (1) Fungal (2) Glyoxalase (GLO) (1) HBV (1) HCV (1) HCV Protease (1) Herbicide (1) HIF/HIF Prolyl-Hydroxylase (2) HIV Protease (1) iGluR (1) Lipase (1) Mitochondrial Metabolism (1) Monoamine Oxidase (1) Monoamine Transporter (1) p38 MAPK (1) Parasite (2) PARP (1) Reactive Oxygen Species (ROS) (1) Reference Standards (1) SARS-CoV (1) SOD (2) Src (2) Succinate Dehydrogenase (1) Topoisomerase (1) Xanthine Oxidase (1)
By Research Areas:	Cancer (8) Cardiovascular Disease (2) Endocrinology (1) Infection (10) Inflammation/Immunology (9) Metabolic Disease (5) Neurological Disease (7)

By Targets:

Acyltransferase (1)

Adenosine Kinase (1)

Aldehyde Dehydrogenase (ALDH) (3)

Amino acid Transporter (1)

Apoptosis (2)

Bacterial (5)

Cathepsin (1)

CDK (2)

Cholinesterase (ChE) (2)

COX (3)

Deubiquitinase (1)

DNA/RNA Synthesis (1)

Drug Derivative (1)

Elastase (1)

Endogenous Metabolite (1)

Environmental Pollutants (1)

Factor Xa (1)

Fluorescent Dye (1)

Fungal (2)

Glyoxalase (GLO) (1)

HBV (1)

HCV (1)

HCV Protease (1)

Herbicide (1)

HIF/HIF Prolyl-Hydroxylase (2)

HIV Protease (1)

iGluR (1)

Lipase (1)

Mitochondrial Metabolism (1)

Monoamine Oxidase (1)

Monoamine Transporter (1)

p38 MAPK (1)

Parasite (2)

PARP (1)

Reactive Oxygen Species (ROS) (1)

Reference Standards (1)

SARS-CoV (1)

SOD (2)

Src (2)

Succinate Dehydrogenase (1)

Topoisomerase (1)

Xanthine Oxidase (1)

By Research Areas:

Cancer (8)

Cardiovascular Disease (2)

Endocrinology (1)

Infection (10)

Inflammation/Immunology (9)

Metabolic Disease (5)

Neurological Disease (7)

Inhibitors & Agonists

Screening Libraries

Fluorescent Dye

Inhibitory Antibodies

Natural
Products

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-W012817

Methylhydroquinone	Environmental Pollutants COX	Inflammation/Immunology
Methylhydroquinone is an orally active COX inhibitor with IC₅₀s of 480.7 μM and 52.2 μM for ovine COX-1 and human recombinant COX-2, respectively. Methylhydroquinone has potential DNA damaging effects: 1) inhibiting COX-1 to reduce prostaglandin synthesis and exert anti-inflammatory activity; 2) inducing DNA single-strand breaks. Methylhydroquinone exerts its effects by competitively binding to the active sites of COX-1 (such as Tyr385, Met522) and non-covalent interactions .

HY-P99283

Concizumab 1 Publications Verification NN 7415; mAb 2021; Anti-TFPI Recombinant Antibody	Factor Xa	Others
Concizumab is an anti-TFPI monoclonal antibody (IgG4 type) that binds to the Kunitz-type protease inhibitor (KPI) 2 structural domain of TFPI, thereby blocking the interaction of this structural domain with the FXa active site. Concizumab can be used in the study of haemophilia .

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-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-161137

LQFM215	Amino acid Transporter iGluR	Neurological Disease
LQFM215 is a proline transporter (PROT) inhibitor. LQFM215 inhibits proline transport by competitively binding to the active site of PROT. LQFM215 effectively reduces hyperlocomotion and enhances social interaction .

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-139031

ALDH1A2-IN-1	Aldehyde Dehydrogenase (ALDH)	Endocrinology
ALDH1A2-IN-1 is an active site-directed reversible ALDH1A2 inhibitor (IC₅₀=0.91 μM; Kd=0.26 μM) with several hydrophobic interactions .

HY-136300

PHD-1-IN-1	HIF/HIF Prolyl-Hydroxylase	Cardiovascular Disease Inflammation/Immunology
PHD-1-IN-1 is an orally active and potent HIF prolylhydroxylase domain-1 (PHD-1) inhibitor with an IC₅₀ of 0.034 μM. PHD-1-IN-1 has a unique monodentate binding interaction with the active site Fe ²⁺ ion and induces the formation of an "Arg367-out" pocket .

HY-115749

D-Luciferin 6′-methyl ether 6′-Methoxyluciferin	Fluorescent Dye	Others
D-Luciferin 6′-methyl ether (6′-Methoxyluciferin; compound 19a) is a potent luciferase from the North American firefly Photinus pyralis (PpyLuc) inhibitor with an IC₅₀ of 0.1 µM. D-Luciferin 6′-methyl ether, a D-luciferin analog, shows non-specific interactions at ATP- and luciferin-binding sites of the PpyLuc active site .

HY-139032

CM121	Aldehyde Dehydrogenase (ALDH)	Others
CM121 is an active site-directed reversible ALDH1A2 inhibitor (IC₅₀=0.54 μM；Kd=1.1 μM) with a variety of hydrophobic interactions .

HY-121020

Arcapillin	SARS-CoV	Infection Others Inflammation/Immunology
Arcapillin is a flavonoid that can be isolated from Artemisia capillaris Thunb. Arcapillin induces dose-dependent relaxation of ileum and pulmonary artery smooth muscle, causes slight urinary bladder smooth muscle contraction at highest tested concentrations. Arcapillin binds to the active site of SARS-CoV-2 M_pro via interactions with Gln139, His163, and His164, exhibits antiviral activity against SARS-CoV-2 and MERS-CoV. Arcapillin can be used for the research of gastrointestinal disorders, COVID-19, and Middle East respiratory syndrome (MERS) .

HY-161514

Xanthine oxidase-IN-15	Xanthine Oxidase	Metabolic Disease
Xanthine oxidase-IN-15 (Compound 6c) is a selective inhibitor of Xanthine oxidase (XO) (IC₅₀=0.13 μM). Xanthine oxidase-IN-15 inhibits XO catalysis by forming a stable interaction with the active site of XO. Xanthine oxidase-IN-15 is mainly used in the study of hyperuricemia and gout .

HY-115749A

(Rac)-Luciferin 6′-methyl ether sodium (Rac)-6′-Methoxyluciferin sodium	Drug Derivative	Others
D-Luciferin 6′-methyl ether (6′-Methoxyluciferin; compound 19a) sodium is a potent luciferase from the North American firefly Photinus pyralis (PpyLuc) inhibitor with an IC₅₀ of 0.1 μM. D-Luciferin 6′-methyl ether, a D-luciferin analog, shows non-specific interactions at ATP- and luciferin-binding sites of the PpyLuc active site .

HY-W012817R

Methylhydroquinone (Standard)	COX Reference Standards	Others
Methylhydroquinone (Standard) is the analytical standard of Methylhydroquinone. This product is intended for research and analytical applications. Methylhydroquinone is an orally active COX inhibitor with IC50s of 480.7 μM and 52.2 μM for ovine COX-1 and human recombinant COX-2, respectively. Methylhydroquinone has potential DNA damaging effects: 1) inhibiting COX-1 to reduce prostaglandin synthesis and exert anti-inflammatory activity; 2) inducing DNA single-strand breaks. Methylhydroquinone exerts its effects by competitively binding to the active sites of COX-1 (such as Tyr385, Met522) and non-covalent interactions[1][2].

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-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-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-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-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-153512

PHD-1-IN-3	HIF/HIF Prolyl-Hydroxylase	Others
PHD-1-IN-3 is an orally active PHD-1 inhibitor with an IC₅₀ of 0.09 μM. PHD-1-IN-3 acts via monodentate binding interaction with active site Fe ²⁺ ion .

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-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-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-181151

DLX48	Monoamine Transporter	Neurological Disease
DLX48 is a LeuBAT (Δ13 mutant) transporter inhibitor that binds to the transporter’s active site. DLX48 can crosses the blood-brain barrier, and has a lower risk of cytochrome P450-related drug-drug interactions. DLX48 can be used for the research of major depressive disorder .

HY-181158

PARP1-IN-52	PARP	Cancer
PARP1-IN-52 is a poly(ADP-ribose) polymerase-1 (PARP-1) inhibitor that forms stable interactions with the PARP-1 active site. PARP1-IN-52 exerts anticancer activity against breast cancer cells. PARP1-IN-52 can be used for the research of breast cancer .

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-117925

Personalised postprandial-targeting	HBV	Others
Personalised postprandial-targeting is a way to modulate water-heme interactions with activity against low-spin P450 complexes. Personalised postprandial-targeting is able to maintain the axial water ligands of CYP2C9 even in the presence of inhibitors. Personalised postprandial-targeting also allows the hydrogen atoms of the axial water ligands to be observed by EPR spectroscopy, providing insights into the enzyme active site .

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-182613

NSC-2888		Cardiovascular Disease
NSC-2888 is a Rho kinase II (ROCK-II) inhibitor with an IC₅₀ of 8.4 nM against human targets. NSC-2888 inhibits enzymatic activity by binding to active site amino acids via hydrogen bonds and hydrophobic interactions. NSC-2888 induces relaxation of pre-contracted rat aortic strips. NSC-2888 can be used in research related to hypertension .

HY-181892

LpxC-IN-17	Bacterial	Infection
LpxC-IN-17 (Compound a5) is a non-covalent LpxC inhibitor and Antibacterial agent. LpxC-IN-17 chelates catalytic zinc ions and forms extensive non-covalent interactions within the LpxC active site, thereby functionally inhibiting the enzyme. LpxC-IN-17 exhibits antibacterial activity against Gram-negative pathogens including Escherichia coli, Klebsiella pneumoniae and Pseudomonas aeruginosa. LpxC-IN-17 is applicable to research related to Gram-negative bacterial infections .

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-180537

Apoptosis inducer 57	Apoptosis	Cancer
Apoptosis inducer 57 is a apoptosis inducer and Thymidylate Synthase (TS) inhibitor. Apoptosis inducer 57 exhibits cytotoxic activity against SW480 and MCF-7 cancer cells with IC₅₀ values of 15.7 and 16.5 µM, and induces dose-dependent apoptosis and S-phase cell cycle arrest. Apoptosis inducer 57 stalely binds the TS active site via interactions with Asp218 and Met311. TS-IN-9 can be used for breast cancer and colorectal cancer research .

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-181647

LasB-IN-3	Bacterial Elastase	Infection
LasB-IN-3 is a protease elastase (LasB) inhibitor of Pseudomonas aeruginosa with an IC₅₀ value of 8.5 nM. LasB-IN-3 shows an IC₅₀ of 58.9 nM for the Met128Val mutant. LasB-IN-3 binds to active sites of wild-type and Met128Val mutant LasB, coordinates zinc ions, forms hydrogen bonds and CH-π interactions, and inhibits LasB proteolytic activity. LasB-IN-3 increases survival rate in LasB-induced acute lung injury mice models. LasB-IN-3 can be used for the research of Pseudomonas aeruginosa infection .

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-181676

Anti-inflammatory agent 113	Cathepsin	Inflammation/Immunology
Anti-inflammatory agent 113 (compound B5) is a Cathepsin L (CTSL) inhibitor and anti-inflammatory agent with a CTSL IC₅₀ of 5.52 μM. Anti-inflammatory agent 113 suppresses CTSL maturation, attenuates NF-κB and p38 MAPK signaling pathway activation, and binds stably in CTSL’s active site via noncovalent interactions with Asp162, Cys25, and Glu63. Anti-inflammatory agent 113 inhibits pro-inflammatory cytokine (IL-6, IL-8) production, reduces inflammatory cell lung infiltration, and alleviates lung tissue injury. Anti-inflammatory agent 113 can be used for the research of acute lung injury .

HY-179151

CDK4/6-IN-26	CDK Reactive Oxygen Species (ROS) SOD	Cancer
CDK4/6-IN-26 is a carbamate derivative that targets CDK4/CDK6. CDK4/6-IN-26 reduces CDK4/CDK6 levels, resulting in cell cycle arrest in the G0/G1 phase and in the S phase. CDK4/6-IN-26 exhibits high potency against SW480 cells (IC₅₀ = 6.3 μM). CDK4/6-IN-26 affects ROS levels by increasing the expression of SOD2/MnSOD. CDK4/6-IN-26 establishes several interactions with the amino acids of the CDK6 active site. CDK4/6-IN-26 can be used for the research of colorectal cancer .

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.

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

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

(Rac)-Luciferin 6′-methyl ether sodium (Rac)-6′-Methoxyluciferin sodium	Fluorescent Dye
D-Luciferin 6′-methyl ether (6′-Methoxyluciferin; compound 19a) sodium is a potent luciferase from the North American firefly Photinus pyralis (PpyLuc) inhibitor with an IC₅₀ of 0.1 μM. D-Luciferin 6′-methyl ether, a D-luciferin analog, shows non-specific interactions at ATP- and luciferin-binding sites of the PpyLuc active site .

Cat. No.	Product Name	Target	Research Area	Image