8 Results for "

binding free energy

" in MedChemExpress (MCE) Product Catalog:
Products (8)

8 Results for "binding free energy" in MCE Product Catalog:

Cat. No.: HY-155356
Target:  

PROTACs Ras

Research Areas:  

Cancer

YN14 is a KRASG12C proteolysis targeting chimera (PROTAC). YN14 is highly potent and selective KRASG12C degrader and induces a stable KRASG12C: YN14: VHL ternary complex with low binding free energy (ΔG). YN14 has antiproliferative effects and significantly inhibits KRASG12C-mutant cancer cell growth. YN14 leads to tumor regression with tumor growth inhibition (TGI%) rates more than 100 % in the MIA PaCa-2 xenograft model.
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Cat. No.: HY-144800
CAS No.: 219542-52-6
Purity:  ≥95.0%
Target:  

SARS-CoV

Research Areas:  

Infection

FWM-1 is a potent SARS-COV-2 NSP13 helicase enzyme inhibitor with binding free energy equals -328.6 kcal/mol. FWM-1 effectively disrupts the binding of ATP to the SARS-COV2 helicase enzyme .
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Cat. No.: HY-155356A
CAS No.: 3053689-54-3
Target:  

PROTACs

Research Areas:  

Cancer

YN14 mixture of diastereomers is the diastereomers of YN14 (HY-155356). YN14 is a KRASG12C proteolysis targeting chimera (PROTAC). YN14 is highly potent and selective KRASG12C degrader and induces a stable KRASG12C: YN14: VHL ternary complex with low binding free energy (ΔG). YN14 has antiproliferative effects and significantly inhibits KRASG12C-mutant cancer cell growth .
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Cat. No.: HY-162518
Research Areas:  

Cancer

Eg5-IN-3 (5) is an Eg5 inhibitor that targets the novel allosteric pocket (α4/α6/L11). Eg5-IN-3 (5) causes tubulin assembly distortion with irregular morphology, resulting in a typical mitotic arrest similar to Monastrol (HY-101071A) .
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Cat. No.: HY-W760546
CAS No.: 3156-41-0
Target:  

SARS-CoV Virus Protease

Research Areas:  

Infection

SARS-CoV-2 3CLpro-IN-15 (compound a) is a beta-nitrostyrene coronavirus SARS-CoV-2 inhibitor that targets the SARS-CoV-2 3CL protease (3CLpro). SARS-CoV-2 3CLpro-IN-15 inhibits viral replication and transcription and plays a key role in the discovery of anti-COVID-19 lead compounds .
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Cat. No.: HY-N8075
CAS No.: 123549-17-7
Artonin U is an artonin. Artonin U can be isolated from Artocarpus species. Artonin U binds to hERα, as measured by docking score and Prime MM-GBSA binding free energy evaluation. Artonin U can be used in breast cancer research .
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Cat. No.: HY-181353
Target:  

Glycosidase

Research Areas:  

Metabolic Disease Cancer

α-Glucosidase-IN-112 is an α-glucosidase inhibitor with an IC50 of 2.03 μM and a Ki of 0.44 μM. α-Glucosidase-IN-112 exerts antioxidant effects by scavenging ABTS + free radicals. α-Glucosidase-IN-112 exerts antiproliferative effects by inhibiting the proliferation of bladder cancer cells. α-Glucosidase-IN-112 can be used in research related to type 2 diabetes and bladder cancer .
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Cat. No.: HY-115373
CAS No.: 112105-54-1
Target:  

MMP

Research Areas:  

Inflammation/Immunology

RO314724 is a selective MMP-1 inhibitor. RO314724 chelates to the catalytic zinc ion within the active site of MMP-1 and forms a stable complex with MMP-1. RO314724 can be used for the research of osteoarthritis .
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