Search Result

Results for "

hydrophobic residues

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Acyltransferase (1) ADC Payload (1) Amyloid-β (1) Anaplastic lymphoma kinase (ALK) (2) Antibiotic (2) Bacterial (4) Bcr-Abl (1) Biochemical Assay Reagents (3) Cholinesterase (ChE) (2) DNA/RNA Synthesis (1) Drug Derivative (1) Endogenous Metabolite (1) Fluorescent Dye (1) Fungal (1) GSK-3 (1) HyT (2) Ligands for Target Protein for PROTAC (1) MARCKS (1) MDM-2/p53 (1) Mixed Lineage Kinase (1) Na+/K+ ATPase (1) nAChR (2) NF-κB (1) Orphan Nuclear Receptor (1) p38 MAPK (1) Parasite (1) PD-1/PD-L1 (1) Phosphatase (1) PKC (2) Pregnane X Receptor (PXR) (1) Pyruvate Kinase (1) SARS-CoV (2) TGF-β Receptor (1) VEGFR (1) Virus Protease (1)
By Research Areas:	Cancer (11) Cardiovascular Disease (4) Infection (8) Inflammation/Immunology (3) Metabolic Disease (3) Neurological Disease (6)

By Targets:

Acyltransferase (1)

ADC Payload (1)

Amyloid-β (1)

Anaplastic lymphoma kinase (ALK) (2)

Antibiotic (2)

Bacterial (4)

Bcr-Abl (1)

Biochemical Assay Reagents (3)

Cholinesterase (ChE) (2)

DNA/RNA Synthesis (1)

Drug Derivative (1)

Endogenous Metabolite (1)

Fluorescent Dye (1)

Fungal (1)

GSK-3 (1)

HyT (2)

Ligands for Target Protein for PROTAC (1)

MARCKS (1)

MDM-2/p53 (1)

Mixed Lineage Kinase (1)

Na+/K+ ATPase (1)

nAChR (2)

NF-κB (1)

Orphan Nuclear Receptor (1)

p38 MAPK (1)

Parasite (1)

PD-1/PD-L1 (1)

Phosphatase (1)

PKC (2)

Pregnane X Receptor (PXR) (1)

Pyruvate Kinase (1)

SARS-CoV (2)

TGF-β Receptor (1)

VEGFR (1)

Virus Protease (1)

By Research Areas:

Cancer (11)

Cardiovascular Disease (4)

Infection (8)

Inflammation/Immunology (3)

Metabolic Disease (3)

Neurological Disease (6)

Inhibitors & Agonists

Screening Libraries

Biochemical Assay Reagents

Peptides

Natural
Products

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-P1748

Thermolysin, Bacillus thermoproteolyticus rokko 3 Publications Verification EC 3.4.24.27; TML	Endogenous Metabolite	Infection
Thermolysin, Bacillus thermoproteolyticus rokko (EC 3.4.24.27) (TML) is a thermostable neutral metalloproteinase enzyme secreted by the Gram-positive bacteria Bacillus thermoproteolyticus. Thermolysin catalyzes the hydrolysis of peptide bonds containing hydrophobic residues . Optimal pH: 8.0. Considerably stable from pH 5 to 9.5. Optimal temperature : 70 °C

HY-W250727

TNS sodium 1 Publications Verification 6-(p-Tolylamino)naphthalene-2-sulfonate sodium	Fluorescent Dye	Others
TNS (6-(p-Tolylamino) naphthalene-2-sulfonate) sodium is a fluorescent probe used to detect the conformational state of proteins. TNS sodium binds to the central hydrophobic calyx of β-lactoglobulin (β-LG) to form a 1:1 complex, which stabilizes the folded conformation of β-LG. TNS sodium shows weak fluorescent signals in aqueous solution, but its fluorescence intensity increases significantly upon binding to the hydrophobic domains of proteins, with the maximum excitation wavelength and maximum emission wavelength located at 321 nm and 446 nm, respectively .

HY-P5712

Gramicidin S 1 Publications Verification Gramicidin soviet	Antibiotic Bacterial Na+/K+ ATPase	Infection
Gramicidin S (Gramicidin soviet) is a cationic cyclic peptide antibiotic that selectively targets bacterial cell membranes and has anticancer activity. Gramicidin S also exerts antibacterial activity by destroying membrane integrity and interfering with membrane protein function. Gramicidin S inserts into the phospholipid bilayer through hydrophobic amino acid residues, specifically binds to negatively charged membrane lipids and disrupts membrane structure, thereby inhibiting cell division and cell wall synthesis, and ultimately causing bacterial death. Gramicidin S also inhibits ion channels, with IC₅₀s of 41 μM, 24 μM, and 3 μM for Na ⁺/K ⁺-ATPase, tobacco leaf plasma membrane Mg ²⁺/K ⁺-ATPase, and rat heart plasma membrane Ca ²⁺-ATPase, respectively .

HY-132180A

Seco-DUBA	ADC Payload DNA/RNA Synthesis	Inflammation/Immunology Cancer
Seco-DUBA hydrochloride is a DNA-targeting cytotoxic agent. Seco-DUBA hydrochloride binds to the minor groove of A-T-rich DNA regions, alkylates the adenine N3 residue, and undergoes spontaneous spirocyclization to generate active DUBA (HY-160969). Seco-DUBA hydrochloride exerts cytotoxic activity against human cancer cells. The reduced hydrophobicity of Seco-DUBA hydrochloride supports the development of antibody-drug conjugates .

HY-154970A

BMPR2-IN-1 TFA	TGF-β Receptor GSK-3	Cardiovascular Disease Neurological Disease Cancer
BMPR2-IN-1 TFA is a selective BMPR2 inhibitor with a human BMPR2 IC₅₀ of 506 nM and a K_d of 83.5 nM. BMPR2-IN-1 TFA functions as an ATP mimetic, forming hydrogen bonds with the BMPR2 kinase domain backbone and hydrophobic interactions with specific residues, and demonstrates high selectivity for BMPR2 over other kinases.BMPR2-IN-1 TFA can be used for the researches of cancer, pulmonary arterial hypertension and Alzheimer’s disease .

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-P1271

Catestatin Catestatin (cattle)	nAChR	Cardiovascular Disease
Catestatin is a 21-amino acid residue, cationic and hydrophobic peptide. Catestatin is an endogenous peptide that regulates cardiac function and blood pressure . Catestatin is a non-competitive nicotinic antagonist acting through nicotinic acetylcholine receptors (nAChRs) to inhibit catecholamine release .

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-N15451

Deoxytopsentin	Pyruvate Kinase	Infection
Deoxytopsentin (compound 5) is a marine bisindole alkaloid and also a MRSA pyruvate kinase inhibitor. Deoxytopsentin exists in sponges. Deoxytopsentin exhibits antibacterial activity against methicillin-resistant Staphylococcus aureus strains in vitro .

HY-P1271A

Catestatin TFA	nAChR	Cardiovascular Disease
Catestatin TFA is a 21-amino acid residue, cationic and hydrophobic peptide. Catestatin TFA is an endogenous peptide that regulates cardiac function and blood pressure . Catestatin TFA is a non-competitive nicotinic antagonist acting through nicotinic acetylcholine receptors (nAChRs) to inhibit catecholamine release .

HY-130908

11-Maleimidoundecanoic acid	Biochemical Assay Reagents	Cancer
11-Maleimidoundecanoic acid is a maleimide-containing hydrophobic core former. 11-Maleimidoundecanoic acid forms a hydrophobic core via maleimide-thiol coupling with cysteine residues on polypeptides, enabling stable loading and controllable release of Doxorubicin (HY-15142A). 11-Maleimidoundecanoic acid can be used for the research of breast cancer .

HY-160478

GNF-6	Bcr-Abl	Cancer
GNF-6 (Compound 14) inhibits the gatekeeper threonine residue mutation of BCR-ABL-T315I with IC₅₀s of 0.25 μM, 0.09 μM and 0.590 μM for c-ABL-T334I, BCR-ABL and BCR-ABL-T315I variants, respectively. GNF-6, an ATP competitive inhibitor, disrupts the assembly of the hydrophobic spine (a network of hydrophobic interactions), thereby locking the kinase in an inactive ‘DFG-out’ conformation .

HY-159920

PSB-22269	Orphan Nuclear Receptor	Neurological Disease Inflammation/Immunology
PSB-22269 is a GPR17 antagonist with a K_i value of 8.91 nM. PSB-22269 further demonstrated significant inhibitory effects in cAMP and G protein activation assays. Molecular docking studies revealed that the binding site of PSB-22269 contains positively charged arginine residues and a hydrophobic pocket. PSB-22269 provides a strategy to promote remyelination and holds promise for research in the field of multiple sclerosis .

HY-N15365

Antcin B	Virus Protease SARS-CoV	Infection
Antcin B is a SARS-CoV-2 3-chymotrypsin-like protease (3CL Pro) inhibitor. Antcin B binds to multiple key amino acid residues of 3CL Pro(such as Leu141, Asn142, Glu166, His163, etc.) through hydrogen bonds, salt bridges, and hydrophobic interactions, thereby inhibiting the activity of 3CL Pro, blocking the cleavage process of viral polyproteins, and suppressing the replication of the SARS-CoV-2 virus in host cells. Antcin B is promising for research of COVID-19 .

HY-13325

Aβ aggregation modulator-1	Drug Derivative Amyloid-β	Neurological Disease
Aβ aggregation modulator-1 is a stimulator of amyloid-β (Aβ) fibrillogenesis. Aβ aggregation modulator-1 binds hydrophobic residues in Aβ peptides and stabilizes β-sheet-rich protofibrils and fibrils. Aβ aggregation modulator-1 accelerates Aβ polymerization and reduces concentrations of small, toxic Aβ oligomers in heterogeneous aggregation reactions. Aβ aggregation modulator-1 suppresses long-term potentiation (LTP) inhibition by Aβ oligomers in hippocampal brain slices. Aβ aggregation modulator-1 can be used for the study of Alzheimer's disease (AD) .

HY-P5439

Epsilon-V1-2, Cys-conjugated	PKC MARCKS	Others
Epsilon-V1-2, Cys-conjugated is a biological active peptide. (This peptide is the εPKC specific inhibitor. Its inhibitory activity is based on εPKC translocation and MARCKS phosphorylation. This peptide interferes with εPKC interaction with the anchoring protein εRACK. This peptide contains a cysteine residue added to the C-terminus for potential S-S bond formation with a carrier protein.Pyroglutamyl (pGlu) peptides may spontaneously form when either Glutamine (Q) or Glutamic acid (E) is located at the sequence N-terminus. The conversion of Q or E to pGlu is a natural occurrence and in general it is believed that the hydrophobic γ-lactam ring of pGlu may play a role in peptide stability against gastrointestinal proteases. Pyroglutamyl peptides are therefore considered a normal subset of such peptides and are included as part of the peptide purity during HPLC analysis.)

HY-161547

Tetracycline/BSA	Antibiotic Biochemical Assay Reagents	Others
Tetracycline/BSA is a tetracycline-carrier protein conjugate of Tetracycline (HY-A0107) and bovine serum albumin (BSA). Tetracycline/BSA can be used as an immobilized capture antigen for the detection of tetracycline residues in milk .

HY-182087

ALK degrader 3	HyT Anaplastic lymphoma kinase (ALK)	Cancer
ALK degrader 3 is a ALK HyT degrader with an IC₅₀ of 1.2 nM. ALK degrader 3 inhibits ALK kinase activity, increases the solvent-accessible surface area of hydrophobic residues near the ALK binding pocket, promotes ALK to form a partially unfolded conformation, and drives ALK degradation via the proteasomal pathway. ALK degrader 3 inhibits the proliferation of tumor cells. ALK degrader 3 can be used for the research of non-small cell lung cancer. (ALK ligand: Brigatinib (HY-12857); hydrophobic tag: Tetraasterane (HY-W1139353)) .

HY-182057

ALK degrader 4	HyT Anaplastic lymphoma kinase (ALK)	Cancer
ALK degrader 4 is a ALK HyT degrader with an IC₅₀ of 0.74 nM. ALK degrader 4 inhibits ALK kinase activity, increases the solvent-accessible surface area of hydrophobic residues near the ALK binding pocket, promotes ALK to form a partially unfolded conformation, and induces proteasomal degradation of ALK. ALK degrader 4 inhibits cancer cell proliferation. ALK degrader 4 can be used in research related to non-small cell lung cancer (ALK ligand: Brigatinib (HY-12857); hydrophobic tag: Norbornene (HY-W013021)) .

HY-130303

Nutlin-2	MDM-2/p53	Others
Nutlin-2 is an inhibitor of the interaction between p53 and MDM2, with an IC₅₀ of 0.14 μM. Nutlin-2 disrupts the p53-MDM2 protein-protein interaction by occupying the hydrophobic pocket on MDM2 that normally binds to the hydrophobic residues of p53 .

HY-P2810A

Rennin, Mucor miehei	Biochemical Assay Reagents	Metabolic Disease
Rennin, Mucor miehei (EC 3.4.23.23) hydrolyzes proteins, preferentially hydrolyzing hydrophobic residues at the P1 and P1' positions. Rennin, Mucor miehei (EC 3.4.23.23) can coagulate milk. Because the P1 position cannot accept lysine, it cannot activate trypsinogen.

HY-P11772

LBP-14	Bacterial	Infection
LBP-14, a peptide, is a synthetic fragment of the LPS (HY-D1056) binding protein (LBP) and is a LPS antagonist. LBP-14 interacts with LPS via electrostatic contacts between arginine/lysine residues and LPS phosphate groups, and hydrophobic contacts between aromatic/aliphatic residues and LPS acyl chains, blocking LPS binding to LBP. LBP-14 moderately inhibits LPS-induced TNF-α formation. LBP-14 can be used for the research of gram-negative sepsis .

HY-P11579

TLP-3	SARS-CoV	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 .

HY-182344

MLKL ligand-2	Ligands for Target Protein for PROTAC Mixed Lineage Kinase	Cancer
MLKL ligand-2 is a mixed lineage kinase domain-like pseudokinase (MLKL) PROTAC ligand with a K_D 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) .

HY-182306

VEGFR-2 ligand-2	VEGFR	Cardiovascular Disease
VEGFR-2 ligand-1, Sorafenib (HY-10201) derivative, is a vascular endothelial growth factor receptor 2 (VEGFR2) ligand. VEGFR-2 ligand-1 binds to the ATP-binding pocket of VEGFR2, forms hydrophobic contacts and hydrogen bonds with key binding-site residues. VEGFR-2 ligand-1 can be used for the research angiogenesis-related pathologies .

HY-182020

LpxH-IN-3	Bacterial	Infection
LpxH-IN-3 is a Klebsiella pneumoniae LpxH inhibitor with an IC₅₀ of 0.17 μM. LpxH-IN-3 binds to the L-shaped hydrophobic binding pocket of Klebsiella pneumoniae LpxH, forms hydrogen bonds and other interactions with key residues, disrupts lipid A biosynthesis, and induces bacterial death. LpxH-IN-3 exhibits moderate antibacterial activity against Klebsiella pneumoniae and Escherichia coli. LpxH-IN-3 can be used for the research of klebsiella pneumoniae infection .

HY-N19818

Glycybridin C	Phosphatase NF-κB Pregnane X Receptor (PXR)	Cancer
Glycybridin C is a Protein tyrosine phosphatase 1B (PTP1B) inhibitor and pregnane X receptor (PXR) ligand. Glycybridin C inhibits insulin and leptin signaling pathway negative regulation, LPS (HY-D1056)-induced NF-κB transcriptional activity. Glycybridin C forms hydrophobic and π-π stacking interactions with Met243, Phe288, Tyr306, and His407 residues of PXR. Glycybridin C can be used for the research of hepatocellular carcinoma, colorectal adenocarcinoma, breast carcinoma .

HY-130305A

GSK-943949A	PKC	Cancer
GSK-943949A is a PRK1 inhibitor with an IC₅₀ of 40.0 nM. GSK-943949A is applicable to research related to prostate cancer .

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-182047

PD-1/PD-L1-IN-61	PD-1/PD-L1	Cancer
PD-1/PD-L1-IN-61 is a PD-1/PD-L1 interaction inhibitor with a human IC₅₀ of 5.3 nM. PD-1/PD-L1-IN-61 embeds into the hydrophobic pocket at the PD-L1 dimer interface, stabilizing binding through hydrogen bonds and π-π stacking with PD-L1 residues. PD-1/PD-L1-IN-61 acts as an immune activator, enhances immune-killing activity of peripheral blood mononuclear cells against cancer cells, restores T-cell immune function, and promotes IFN-γ secretion. PD-1/PD-L1-IN-61 can be used for the research of triple-negative breast cancer .

Cat. No.	Product Name

HY-L913

Tyrosine Focused Covalent Fragment Library	104 compounds
Recently, significant advancements in tyrosine-targeting electrophiles have primarily occurred in the field of protein-protein interactions (PPIs), where cysteine residues are often underrepresented and novel chemistries are needed to address these interfaces. In this context, tyrosines are frequently more accessible compared to more buried binding sites. Moreover, they are commonly found at "hot spots," which are functional epitopes of PPIs, with 12.3% of the residues consisting of tyrosines. This prevalence is likely due to the hydrophobic nature of tyrosine, its ability to participate in aromatic π-interactions, and its capacity for hydrogen bonding. Beyond PPIs, some progress has also been made in covalent tyrosine targeting in other areas where more commonly addressed side chains are lacking. Even though tyrosine has a slightly lower pKa value compared to the protonated lysine side chain (approximately 10 vs. 10.5 for the unprotected amino acid side chains), significantly less progress has been made in the development of tyrosine-targeted covalent ligands compared to lysine. This is likely due to the reduced flexibility of the tyrosine side chain and the greater steric hindrance of its hydroxy group, which makes it more challenging to adopt suitable reaction geometries. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 124 fragment molecules which can target tyrosine residue and can be used for fragment-based covalent drug discovery.

Tyrosine Focused Covalent Fragment Library

104 compounds

Recently, significant advancements in tyrosine-targeting electrophiles have primarily occurred in the field of protein-protein interactions (PPIs), where cysteine residues are often underrepresented and novel chemistries are needed to address these interfaces. In this context, tyrosines are frequently more accessible compared to more buried binding sites. Moreover, they are commonly found at "hot spots," which are functional epitopes of PPIs, with 12.3% of the residues consisting of tyrosines. This prevalence is likely due to the hydrophobic nature of tyrosine, its ability to participate in aromatic π-interactions, and its capacity for hydrogen bonding. Beyond PPIs, some progress has also been made in covalent tyrosine targeting in other areas where more commonly addressed side chains are lacking. Even though tyrosine has a slightly lower pKa value compared to the protonated lysine side chain (approximately 10 vs. 10.5 for the unprotected amino acid side chains), significantly less progress has been made in the development of tyrosine-targeted covalent ligands compared to lysine. This is likely due to the reduced flexibility of the tyrosine side chain and the greater steric hindrance of its hydroxy group, which makes it more challenging to adopt suitable reaction geometries.

Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 124 fragment molecules which can target tyrosine residue and can be used for fragment-based covalent drug discovery.

HY-L928

GPCR Targeted Diversity Library	7,113 compounds
G protein-coupled receptors (GPCRs) are membrane proteins in humans and one of the most important targets in drug discovery. Approximately 35% of launched drugs are targeted GPCRs, making them a crucial class of targets in drug discovery. The orthosteric site of a GPCR is its endogenous ligand’s (such as neurotransmitters or hormones) binding site. This site plays a central role in signal transduction. Small molecules binding to this site typically contain a protonatable amino group, enabling the formation of salt bridges or hydrogen bonds with acidic residues in the binding pocket. In contrast, the allosteric site does not directly initiate signaling but modulates the signal intensity of the GPCR by altering or stabilizing the conformation of the orthosteric site. Small molecules binding to the allosteric site often contain multiple aromatic rings to occupy hydrophobic pockets and achieve their functional effects. MCE has collected over 7,113 reported bioactive molecules targeting GPCRs, covering Class A, B, and C GPCRs. These small molecules were subjected to AI representation to extract 2D and 3D features. Subsequently, we do screening by AI score based on similarity to identify molecules in diversity library highly similar to the reported bioactive molecules in both 2D and 3D, with a threshold greater than 0.7. Further screening based on cLogP was applied to select molecules with good lipophilicity, which facilitates the binding of small molecules to GPCRs. This diversity library can be widely applied to the discovery of compounds targeting GPCR proteins.

GPCR Targeted Diversity Library

7,113 compounds

G protein-coupled receptors (GPCRs) are membrane proteins in humans and one of the most important targets in drug discovery. Approximately 35% of launched drugs are targeted GPCRs, making them a crucial class of targets in drug discovery.

The orthosteric site of a GPCR is its endogenous ligand’s (such as neurotransmitters or hormones) binding site. This site plays a central role in signal transduction. Small molecules binding to this site typically contain a protonatable amino group, enabling the formation of salt bridges or hydrogen bonds with acidic residues in the binding pocket. In contrast, the allosteric site does not directly initiate signaling but modulates the signal intensity of the GPCR by altering or stabilizing the conformation of the orthosteric site. Small molecules binding to the allosteric site often contain multiple aromatic rings to occupy hydrophobic pockets and achieve their functional effects.

MCE has collected over 7,113 reported bioactive molecules targeting GPCRs, covering Class A, B, and C GPCRs. These small molecules were subjected to AI representation to extract 2D and 3D features. Subsequently, we do screening by AI score based on similarity to identify molecules in diversity library highly similar to the reported bioactive molecules in both 2D and 3D, with a threshold greater than 0.7. Further screening based on cLogP was applied to select molecules with good lipophilicity, which facilitates the binding of small molecules to GPCRs. This diversity library can be widely applied to the discovery of compounds targeting GPCR proteins.

Cat. No.	Product Name	Type

HY-W250727

TNS sodium 1 Publications Verification 6-(p-Tolylamino)naphthalene-2-sulfonate sodium	Biochemical Assay Reagents
TNS (6-(p-Tolylamino) naphthalene-2-sulfonate) sodium is a fluorescent probe used to detect the conformational state of proteins. TNS sodium binds to the central hydrophobic calyx of β-lactoglobulin (β-LG) to form a 1:1 complex, which stabilizes the folded conformation of β-LG. TNS sodium shows weak fluorescent signals in aqueous solution, but its fluorescence intensity increases significantly upon binding to the hydrophobic domains of proteins, with the maximum excitation wavelength and maximum emission wavelength located at 321 nm and 446 nm, respectively .

TNS sodium

1 Publications Verification

6-(p-Tolylamino)naphthalene-2-sulfonate sodium

Biochemical Assay Reagents

TNS (6-(p-Tolylamino) naphthalene-2-sulfonate) sodium is a fluorescent probe used to detect the conformational state of proteins. TNS sodium binds to the central hydrophobic calyx of β-lactoglobulin (β-LG) to form a 1:1 complex, which stabilizes the folded conformation of β-LG. TNS sodium shows weak fluorescent signals in aqueous solution, but its fluorescence intensity increases significantly upon binding to the hydrophobic domains of proteins, with the maximum excitation wavelength and maximum emission wavelength located at 321 nm and 446 nm, respectively .

HY-161547

Tetracycline/BSA	Biochemical Assay Reagents
Tetracycline/BSA is a tetracycline-carrier protein conjugate of Tetracycline (HY-A0107) and bovine serum albumin (BSA). Tetracycline/BSA can be used as an immobilized capture antigen for the detection of tetracycline residues in milk .

Cat. No.	Product Name	Target	Research Area

HY-P5712

Gramicidin S 1 Publications Verification Gramicidin soviet	Antibiotic Bacterial Na+/K+ ATPase	Infection
Gramicidin S (Gramicidin soviet) is a cationic cyclic peptide antibiotic that selectively targets bacterial cell membranes and has anticancer activity. Gramicidin S also exerts antibacterial activity by destroying membrane integrity and interfering with membrane protein function. Gramicidin S inserts into the phospholipid bilayer through hydrophobic amino acid residues, specifically binds to negatively charged membrane lipids and disrupts membrane structure, thereby inhibiting cell division and cell wall synthesis, and ultimately causing bacterial death. Gramicidin S also inhibits ion channels, with IC₅₀s of 41 μM, 24 μM, and 3 μM for Na ⁺/K ⁺-ATPase, tobacco leaf plasma membrane Mg ²⁺/K ⁺-ATPase, and rat heart plasma membrane Ca ²⁺-ATPase, respectively .

HY-P1271

Catestatin Catestatin (cattle)	nAChR	Cardiovascular Disease
Catestatin is a 21-amino acid residue, cationic and hydrophobic peptide. Catestatin is an endogenous peptide that regulates cardiac function and blood pressure . Catestatin is a non-competitive nicotinic antagonist acting through nicotinic acetylcholine receptors (nAChRs) to inhibit catecholamine release .

HY-P4371A

Hel 13-5 TFA	Peptides	Others
Hel 13-5 TFA is a monomeric synthetic peptide based on the N-terminal fragment of human SP-B. Hel 13-5 TFA is mainly α-helical and consists of 13 hydrophobic amino acid residues and 5 hydrophilic amino acid residues. Hel 13-5 TFA can be combined with phospholipids for the development of a model system for pulmonary surfactant .

HY-P1271A

Catestatin TFA	nAChR	Cardiovascular Disease
Catestatin TFA is a 21-amino acid residue, cationic and hydrophobic peptide. Catestatin TFA is an endogenous peptide that regulates cardiac function and blood pressure . Catestatin TFA is a non-competitive nicotinic antagonist acting through nicotinic acetylcholine receptors (nAChRs) to inhibit catecholamine release .

HY-P5439

Epsilon-V1-2, Cys-conjugated	PKC MARCKS	Others
Epsilon-V1-2, Cys-conjugated is a biological active peptide. (This peptide is the εPKC specific inhibitor. Its inhibitory activity is based on εPKC translocation and MARCKS phosphorylation. This peptide interferes with εPKC interaction with the anchoring protein εRACK. This peptide contains a cysteine residue added to the C-terminus for potential S-S bond formation with a carrier protein.Pyroglutamyl (pGlu) peptides may spontaneously form when either Glutamine (Q) or Glutamic acid (E) is located at the sequence N-terminus. The conversion of Q or E to pGlu is a natural occurrence and in general it is believed that the hydrophobic γ-lactam ring of pGlu may play a role in peptide stability against gastrointestinal proteases. Pyroglutamyl peptides are therefore considered a normal subset of such peptides and are included as part of the peptide purity during HPLC analysis.)

HY-P11772

LBP-14	Bacterial	Infection
LBP-14, a peptide, is a synthetic fragment of the LPS (HY-D1056) binding protein (LBP) and is a LPS antagonist. LBP-14 interacts with LPS via electrostatic contacts between arginine/lysine residues and LPS phosphate groups, and hydrophobic contacts between aromatic/aliphatic residues and LPS acyl chains, blocking LPS binding to LBP. LBP-14 moderately inhibits LPS-induced TNF-α formation. LBP-14 can be used for the research of gram-negative sepsis .

HY-P11579

TLP-3	SARS-CoV	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 .

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-N15451

Deoxytopsentin	Structural Classification Alkaloids Marine natural products Sponge Indole Alkaloids Source Classification	Pyruvate Kinase
Deoxytopsentin (compound 5) is a marine bisindole alkaloid and also a MRSA pyruvate kinase inhibitor. Deoxytopsentin exists in sponges. Deoxytopsentin exhibits antibacterial activity against methicillin-resistant Staphylococcus aureus strains in vitro .

HY-N15365

Antcin B	Structural Classification Microorganisms Ketones, Aldehydes, Acids Source Classification	Virus Protease SARS-CoV
Antcin B is a SARS-CoV-2 3-chymotrypsin-like protease (3CL Pro) inhibitor. Antcin B binds to multiple key amino acid residues of 3CL Pro(such as Leu141, Asn142, Glu166, His163, etc.) through hydrogen bonds, salt bridges, and hydrophobic interactions, thereby inhibiting the activity of 3CL Pro, blocking the cleavage process of viral polyproteins, and suppressing the replication of the SARS-CoV-2 virus in host cells. Antcin B is promising for research of COVID-19 .

HY-N19818

Glycybridin C	Structural Classification Glycyrrhiza glabra Linn. Leguminosae Phenols Polyphenols Plants Source Classification	Phosphatase NF-κB Pregnane X Receptor (PXR)
Glycybridin C is a Protein tyrosine phosphatase 1B (PTP1B) inhibitor and pregnane X receptor (PXR) ligand. Glycybridin C inhibits insulin and leptin signaling pathway negative regulation, LPS (HY-D1056)-induced NF-κB transcriptional activity. Glycybridin C forms hydrophobic and π-π stacking interactions with Met243, Phe288, Tyr306, and His407 residues of PXR. Glycybridin C can be used for the research of hepatocellular carcinoma, colorectal adenocarcinoma, breast carcinoma .

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 .

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