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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
14 Results for "
S1′ pocket
" in MedChemExpress (MCE) Product Catalog:
Products (14)
14 Results for "S1′ pocket" in MCE Product Catalog:
9
9 Publications Verification
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CL-82198 is a selective inhibitor of MMP-13. CL-82198 binds to the entire S1’ pocket of MMP-13, which is the basis for its selectivity towards MMP-13 and the lack of inhibitory activities against other MMPs . CL-82198 is a pharmacologic treatment for preventing osteoarthritis (OA) progression .
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9 Publications Verification
Cat. No.: HY-110046
CAS No.: 1188890-36-9
CL-82198 hydrochloride is a selective inhibitor of MMP-13. CL-82198 hydrochloride binds to the entire S1’ pocket of MMP-13, which is the basis of its selectivity against MMP-1, MMP-9, and TACE .
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3 Cited Publications
ARP-100 is a potent and selective matrix metalloproteinase MMP-2 inhibitor (IC50=12 nM). ARP-100 interacts with S1＇ pocket of MMP-2 and shows anti-invasive properties in an in vitro model of invasion on matrigel. ARP-100 shows the less inhibitory activity towards MMP-1 (>50 μM), MMP-3 (4.5 μM), MMP-7 (>50 μM), and MMP-9 (0.2 μM) .
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Sebetralstat (KVD900) is an orally active and selective plasma kallikrein inhibitor, with an IC50 of 6.0 nM and a Ki of 3.0 nM against the human target. Sebetralstat binds to the active site of plasma kallikrein, inducing a conformational flip of Trp215 to form a U-shaped conformation; its P1 group interacts with the S1 pocket through hydrophobic interactions and displacement of high-energy water molecules, independent of the Asp189 ionic bond. Sebetralstat inhibits plasma kallikrein-kinin system activation in whole plasma, rapidly relieves laryngeal and abdominal attack symptoms of hereditary angioedema (HAE-C1INH), and reduces attack severity. Sebetralstat can be used in research related to hereditary angioedema (HAE) .
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3BrB-PP1 is an ATP-competitive analog. 3BrB-PP1 can specifically inhibit the activity of protein kinase with mutations in the ATP-binding pocket (mutation of Thr97 within Sty1’s ATP-binding pocket) .
Cat. No.: HY-10289
CAS No.: 813452-18-5
Synonyms: RO-4876904; R-1579
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Carmegliptin (RO-4876904) is an orally active and potent DPP IV inhibitor with a human DPP IV IC50 of 6.8 nM. Carmegliptin binds to the S1 pocket of DPP IV, blocks the degradation of GLP 1, potentiates endogenous GLP 1, increases plasma insulin levels, alleviates hyperglycemia, improves glucose tolerance. Carmegliptin acts as a substrate for human P glycoprotein without inhibiting the transporter, shows low in vitro cell permeability. Carmegliptin can be used for the research of type 2 diabetes, non insulin dependent diabetes mellitus .
Cat. No.: HY-103444R
CAS No.: 704888-90-4
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ARP-100 (Standard) is the analytical standard of ARP-100. This product is intended for research and analytical applications. ARP-100 is a potent and selective matrix metalloproteinase MMP-2 inhibitor (IC50=12 nM). ARP-100 interacts with S1＇ pocket of MMP-2 and shows anti-invasive properties in an in vitro model of invasion on matrigel. ARP-100 shows the less inhibitory activity towards MMP-1 (>50 μM), MMP-3 (4.5 μM), MMP-7 (>50 μM), and MMP-9 (0.2 μM) .
Cat. No.: HY-184117B
CAS No.: 3098808-75-1
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(R)-pMeO-Bz-SF, the R isomer of pMeO-Bz-SF (HY-184117), is an α-chymotrypsin inhibitor with an IC50 of 101 nM. (R)-pMeO-Bz-SF covalently modifies Ser195, Ser190, and Tyr146 in or near α-chymotrypsin’s hydrophobic S1 binding pocket. (R)-pMeO-Bz-SF inhibits α-chymotrypsin in a stereoselective manner .
Cat. No.: HY-L925
9,363 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.
Cat. No.: HY-10289A
CAS No.: 813452-14-1
Synonyms: RO-4876904 hydrochloride; R-1579 hydrochloride
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Carmegliptin hydrochloride (RO-4876904 hydrochloride) is an orally active and potent DPP‑IV inhibitor with a human DPP‑IV IC50 of 6.8 nM. Carmegliptin hydrochloride binds to the S1 pocket of DPP‑IV, blocks the degradation of GLP‑1, potentiates endogenous GLP‑1, increases plasma insulin levels, alleviates hyperglycemia, improves glucose tolerance. Carmegliptin hydrochloride acts as a substrate for human P‑glycoprotein without inhibiting the transporter, shows low in vitro cell permeability. Carmegliptin hydrochloride can be used for the research of type 2 diabetes, non‑insulin‑dependent diabetes mellitus .
Cat. No.: HY-132830A
CAS No.: 2163789-76-0
Synonyms: KVD900 hydrochloride
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Sebetralstat hydrochloride (KVD900 hydrochloride) is an orally active and selective plasma kallikrein inhibitor, with an IC50 of 6.0 nM and a Ki of 3.0 nM against the human target. Sebetralstat hydrochloride binds to the active site of plasma kallikrein, inducing a conformational flip of Trp215 to form a U-shaped conformation; its P1 group interacts with the S1 pocket through hydrophobic interactions and displacement of high-energy water molecules, independent of the Asp189 ionic bond. Sebetralstat hydrochloride inhibits plasma kallikrein-kinin system activation in whole plasma, rapidly relieves laryngeal and abdominal attack symptoms of hereditary angioedema (HAE-C1INH), and reduces attack severity. Sebetralstat hydrochloride can be used in research related to hereditary angioedema (HAE) .
Cat. No.: HY-182024
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SARS-CoV-2 3CLpro-IN-36 is a SARS-CoV-2 3CLpro inhibitor and antiviral agent with a human sub-micromolar IC50 against SARS-CoV-2 3CLpro.SARS-CoV-2 3CLpro-IN-36 forms a covalent bond with catalytic Cys145 of SARS-CoV-2 3CLpro; its tetrazole core occupies the S1 pocket and interacts with His163, while its chloroacetamide carbonyl forms hydrogen bonds with the backbone amides of Gly143 and Ser144 in the oxyanion hole.SARS-CoV-2 3CLpro-IN-36 reduces SARS-CoV-2 replication in infected cells.SARS-CoV-2 3CLpro-IN-36 can be used for the research of SARS-CoV-2 infection .
Cat. No.: HY-184271
CAS No.: 3116900-85-4
SphK1-IN-5 is an orally active selective inhibitor of sphingosine kinase 1 (SphK1) with an IC50 of 0.87 μM and a Ki of 1.05 μM. SphK1-IN-5 directly binds to the ATP-binding pocket of SphK1 and enhances the thermal stability of this protein. SphK1-IN-5 regulates sphingolipid homeostasis: it increases sphingosine (Sph) levels and decreases sphingosine-1-phosphate (S1P) levels by inhibiting SphK1-mediated conversion of Sph to S1P. SphK1-IN-5 induces apoptosis in MC38 colon cancer cells, causes cell cycle arrest, inhibits cell migration, and exerts broad-spectrum antiproliferative effects against various tumor cells. SphK1-IN-5 exhibits antitumor activity in a mouse colon tumor model. SphK1-IN-5 can be used for research on colon cancer .
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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
