Scientific Reviews
Product Guides
Blogs
Topics
Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!2025-02-06
14 Results for "
hydrophobic groove
" in MedChemExpress (MCE) Product Catalog:
Products (14)
14 Results for "hydrophobic groove" in MCE Product Catalog:
7
Research Areas:
Tesirine (SG3249) is an antibody-drug conjugate (ADC) pyrrolobenzodiazepine (PBD) dimer payload. Tesirine combines potent antitumor activity with desirable physicochemical properties such as favorable hydrophobicity and improved conjugation characteristics. SG3199 (HY-101161) is the released warhead component of the ADC payload Tesirine. SG3199 retains picomolar activity in a panel of cancer cell lines. PBD dimers are highly efficient DNA minor groove cross-linking agents with potent cytotoxicity .
Target:
Research Areas:
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 .
Cat. No.: HY-146248B
Purity: 98.02%
Research Areas:
TFMU-ADPr diammonium is a selective reporter substrate of SARS-CoV-2 Macro1 (IC50=0.59 μM), with an excitation wavelength (λEx) of 385 nm, and an emission wavelength (λEm) of 502 nm (or 495 nm). TFMU-ADPr diammonium can also undergo enzymatic hydrolysis with Poly(ADP-ribose) Glycohydrolase (PARG) sourced from human, Tetrahymena thermophila and ADP-ribosylhydrolase 3 from human to release fluorophores, thereby directly reporting total poly (ADP-ribose) hydrolase activity. TFMU-ADPr diammonium binds to the ADPr-binding site of SARS-CoV-2 Macro1, and its TFMU moiety inserts into the narrow hydrophobic groove of this protein. TFMU-ADPr diammonium can thus be used to evaluate small-molecule inhibitors targeting PAR hydrolases under in vitro conditions, to investigate the regulatory mechanisms of ADP-ribosyl catabolic enzymes, or to detect PAR hydrolase activity in whole-cell lysate assays. TFMU-ADPr diammonium is also applicable to COVID-19-related research .
Cat. No.: HY-D0074
CAS No.: 70504-01-7
Target:
Research Areas:
Prodan is an environment-sensitive fluorescent probe used to investigate the polarity, fluidity, and structure of lipid membranes. Prodan exhibits environment-dependent excitation/emission wavelengths, with its wavelength range covering Ex = 360-410 nm and Em = 430-530 nm when in solvents, bound to DNA, located in lipid bilayers, or associated with proteins. Prodan can interact with the major groove of DNA, regions of lipid bilayers, and hydrophobic pockets of proteins. During phase transitions, Prodan localizes to different regions of the bilayer: the emission minimum is 430-440 nm in the gel phase, while it shifts to 480-500 nm in the liquid-crystalline phase or interdigitated gel phase. When bound to rigid hydrophobic sites of proteins, the emission peak of Prodan undergoes a blue shift and its fluorescence intensity increases .
Cat. No.: HY-146248
CAS No.: 2412923-11-4
Cat. No.: HY-146248A
Research Areas:
TFMU-ADPr triethylamine is a selective reporter substrate of SARS-CoV-2 Macro1 (IC50=0.59 μM), with an excitation wavelength (λEx) of 385 nm, and an emission wavelength (λEm) of 502 nm (or 495 nm). TFMU-ADPr triethylamine can also undergo enzymatic hydrolysis with Poly(ADP-ribose) Glycohydrolase (PARG) sourced from human, Tetrahymena thermophila and ADP-ribosylhydrolase 3 from human to release fluorophores, thereby directly reporting total poly (ADP-ribose) hydrolase activity. TFMU-ADPr triethylamine binds to the ADPr-binding site of SARS-CoV-2 Macro1, and its TFMU moiety inserts into the narrow hydrophobic groove of this protein. TFMU-ADPr triethylamine can thus be used to evaluate small-molecule inhibitors targeting PAR hydrolases under in vitro conditions, to investigate the regulatory mechanisms of ADP-ribosyl catabolic enzymes, or to detect PAR hydrolase activity in whole-cell lysate assays. TFMU-ADPr triethylamine is also applicable to COVID-19-related research .
Cat. No.: HY-P10614
CAS No.: 300349-78-4
Target:
Research Areas:
Cat. No.: HY-128952G
CAS No.: 1595275-62-9
Synonyms: SG3249 (GMP)
Target:
Research Areas:
Caylin-2 is a Bcl-XL binder and analog of Nutlin-3 (HY-50696). Caylin-2 interacts with the hydrophobic groove of Bcl-XL, with binding diminished by steric collision from its trifluoromethyl groups. Caylin-2 can be used for cancer research .
Cat. No.: HY-156921
CAS No.: 827603-95-2
Synonyms: 24-Bromofusidic acid; TD-1414
Target:
Research Areas:
Zibrofusidic acid (24-Bromofusidic acid; TD-1414) is a brominated derivative of Fusidic acid (HY-B1350). Zibrofusidic acid can be combined within the hydrophobic groove formed by the transmembrane helix 1 (TM1) and the transmembrane helix 2 (TM2) of the AcrB protein. Zibrofusidic acid can be used for the research of multidrug efflux pump .
Cat. No.: HY-187197
CAS No.: 3132184-09-6
Target:
Research Areas:
GL-637 is a covalent and selective inhibitor of SARS-CoV-1/2 papain-like protease (PLpro), with IC50 values of 42.4 nM and 50.5 nM against the two viruses, respectively. GL-637 covalently modifies the catalytic Cys111 of PLpro, binds to Glu167 and occupies the BL2 groove, thereby inhibiting the deubiquitinase and deISGylase activities of PLpro. GL-637 can be used in the research of coronaviruses .
Cat. No.: HY-187677
CAS No.: 94159-34-9
Research Areas:
PCSK9-IN-36 is a PCSK9 inhibitor and a flavonoid glycoside derivative. PCSK9-IN-36 binds stably within the surface groove of PCSK9 through hydrophobic interactions involving its flavonoid scaffold and an electrostatic hydrogen-bonding network formed by its polar glycosidic group, thereby competitively blocking the interaction between PCSK9 and the low-density lipoprotein receptor (LDLR). PCSK9-IN-36 can be used for research on hypercholesterolemia .
Cat. No.: HY-P10614A
Target:
Research Areas:
Cat. No.: HY-L942
1,626 compounds
Unlike highly conserved orthosteric sites, allosteric sites exhibit low conservation, high hydrophobicity, weak polarity, confined geometry, and dynamic cryptic properties. Rather than rigid keyhole-like cavities, they typically appear as flexible grooves, subunit interface clefts, or shallow depressions formed by protein conformational changes.
Based on the dynamic, hydrophobic, and elongated nature of allosteric pockets, MCE has carried out targeted fragment modification and screening under strict physicochemical criteria: MW 120–280 Da, HBD ≤ 2, HBA ≤ 3, PSA 30–80 Ų, rotatable bonds ≤ 2, cLogP 1–3.5. High 3D diversity was further ensured by PMI analysis, yielding fragments with excellent shape complementarity to allosteric pockets.
This library contains 1,800 structurally diverse, drug-like fragments, this library supports allosteric drug development and pocket optimization. It significantly improves screening hit rates and enables efficient, precise early-stage R&D of allosteric drugs.
- 1
-
-
Protocols
Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!A suitable model is crucial in drug screening experiments. Organs can mimic the three-dimensional functional structure of internal organs, have similar spatial organization to corresponding organs, maintain some key characteristics, and reproduce some physiological functions. They are widely used for modeling and personalized drug screening physiological functions.2025-02-06
