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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
76 Results for "
active-site interactions
" in MedChemExpress (MCE) Product Catalog:
Products (76)
76 Results for "active-site interactions" in MCE Product Catalog:
Cat. No.: HY-176892A
CAS No.: 28362-21-2
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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 .
Cat. No.: HY-180567
CAS No.: 3088543-72-7
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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 .
Cat. No.: HY-187739
CAS No.: 67049-84-7
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Aminostigmine hydrochloride is a Cholinesterase (ChE) inhibitor. Aminostigmine hydrochloride is a carbamate nerve agent precursor with a Kd of 6.6 mM for BSA. Aminostigmine hydrochloride exerts toxicity through carbamoylation of the enzyme active site and binds to serum albumin to reduce free toxicity. Aminostigmine hydrochloride is useful for studying atomic-level binding interactions between toxic compounds and carrier proteins .
Cat. No.: HY-181151
CAS No.: 2457357-91-2
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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 .
Cat. No.: HY-183362
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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 .
Cat. No.: HY-187377
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α-Glucosidase-IN-121 is a yeast α-glucosidase inhibitor with an IC50 of 3.8 μM and a Ki of 12.9 μM. α-Glucosidase-IN-121 binds to the active site of the enzyme, competes with substrate binding, and forms stable interactions with Phe137, Ser308, Pro309, Arg312 and Glu350 via hydrogen bonding, π-π stacking and hydrophobic interactions. α-Glucosidase-IN-121 can be used in the research of diabetes .
Cat. No.: HY-N21759
CAS No.: 503443-09-2
Cat. No.: HY-110147
CAS No.: 922732-52-3
SSM-3 is a potent furin inhibitor with an EC50 of 54 nM. SSM-3 uses its positively charged guanidyl group to form strong electrostatic interactions with the negatively charged residues in the catalytic center of furin, thereby competitively occupying and blocking the active site. SSM-3 can be used in the research of anthrax and avian influenza .
Cat. No.: HY-181158
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 .
Cat. No.: HY-183076
CAS No.: 215778-00-0
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 .
Cat. No.: HY-189407
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AChE/BChE-IN-42 is a potent competitive inhibitor of AChE and BChE, with Ki values of 24.27 nM and 81.89 nM, respectively. AChE/BChE-IN-42 binds tightly to the active sites (CAS and PAS) of AChE and BChE through multiple strong interactions, thereby competitively inhibiting the activity of both cholinesterases. AChE/BChE-IN-42 can be used for research on Alzheimer's disease .
Cat. No.: HY-117925
CAS No.: 1529779-90-5
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 .
Cat. No.: HY-187374
HPPD-IN-11 is an inhibitor of Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase (AtHPPD), with a Ki value of 0.016 μM, and exhibits herbicidal activity. HPPD-IN-11 enhances π-π interactions with Phe360 and Phe403 in the active site of AtHPPD, thereby strengthening its enzyme-binding ability. HPPD-IN-11 can be used in studies related to weed damage .
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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 .
Cat. No.: HY-189400
CAS No.: 77491-07-7
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α-Amylase Ligand 1 is a human pancreatic α-amylase binder with a Kd of 53.55 μM. α-Amylase Ligand 1 binds within the catalytic site through hydrogen bonding and hydrophobic interactions with active site residues. α-Amylase Ligand 1 is predicted to be orally active with a good safety profile. α-Amylase Ligand 1 can be used for diabetes-related research .
Cat. No.: HY-187805
CAS No.: 1022924-71-5
CID-145925339 is a binder of fatty acid-binding protein 4 (FABP4). CID-145925339 binds to the active site of FABP4 and forms stable interactions with key amino acid residues of this protein. Computational prediction shows that CID-145925339 inhibits FABP4, which is overexpressed in colorectal adenocarcinoma, with favorable druglike properties and no obvious toxicity. CID-145925339 can be used in studies related to colorectal adenocarcinoma .
Cat. No.: HY-184715
CAS No.: 872546-39-9
LasR-IN-6 is a LasR inhibitor with an IC50 of 0.261 μM, and exhibits antibacterial activity against Pseudomonas aeruginosa. LasR-IN-6 stably binds to the active site of LasR via hydrophobic interactions, disrupts receptor dimerization, and interferes with quorum sensing. LasR-IN-6 inhibits protease production, biofilm formation, twitching motility and swarming motility in Pseudomonas aeruginosa. LasR-IN-6 can be used in studies related to Pseudomonas aeruginosa infection .
Cat. No.: HY-187373
CAS No.: 1808751-57-6
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DDAH1-IN-3 is a DDAH1 inhibitor with a human IC50 of 176 μM. DDAH1-IN-3 binds to the DDAH1 active site, forms binding interactions that remodel the binding pocket, and functionally inhibits the enzyme. DDAH1-IN-3 suppresses vasculogenic mimicry in triple-negative breast cancer cells. DDAH1-IN-3 can be used for the research of triple-negative breast cancer .
Cat. No.: HY-187679
CAS No.: 3087062-38-9
Anticancer agent 358 is a PARP inhibitor with antiproliferative activity against lung cancer cells and low toxicity to normal hepatocytes. Anticancer agent 358 binds to the active site of PARP via hydrogen bonds and π-π interactions with key residues, thereby promoting the accumulation of DNA damage. Anticancer agent 358 induces DNA damage, apoptosis, and autophagy in lung cancer cells. Anticancer agent 358 can be used for the research of non-small cell lung cancer .
Cat. No.: HY-181892
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 .
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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
