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Structure-based virtual screening

" in MedChemExpress (MCE) Product Catalog:
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Cat. No. Product Name Target Research Areas Chemical Structure
  • HY-129886

    Antibiotic Others
    PKUMDL-LTQ-301 is a HipA toxin inhibitor discovered through structure-based virtual screening, which has the activity of significantly reducing the persistence of Escherichia coli. Its most effective compounds have certain KD and EC50 values when screened against different antibiotics in vitro and in vivo.
    PKUMDL-LTQ-301
  • HY-155148

    Methionine Adenosyltransferase (MAT) Cancer
    MAT2A Allosteric inhibitor 1 (compound 5) is a MAT2A selective inhibitor of methionine adenosyltransferase (MAT) with an IC50 of 6.8 nM .
    MAT2A-IN-11
  • HY-180492

    Transmembrane Glycoprotein Cancer
    NSC 121182 is a compound selected from NCI Diversity Set II by structure-based virtual screening. NSC 121182 can be used to study the Vitronectin-uPAR interaction. NSC 121182 can be used for cancer research .
    NSC 121182
  • HY-180816

    Histone Methyltransferase Cancer
    PRMT5-MTA-IN-7 (Compound 14) is a selective PRMT5-MTA inhibitor. PRMT5-MTA-IN-7 exhibits KD values of PRMT5-MTA-IN-7 for PRMT5-MTA and PRMT5-SAM of 236 nM and 2.84 μM respectively, and the IC50 values of 4.08 and 13.6 μM respectively. PRMT5-MTA-IN-7 can selectively inhibit the proliferation of MTAP-deficient cancer cells. PRMT5-MTA-IN-7 can be used for the study of colon cancer .
    PRMT5-MTA-IN-7
  • HY-179607

    CCR Inflammation/Immunology Cancer
    LUF8100 is a dual-target antagonist of CCR2/CCR5 with pKi values for CCR2 and CCR5 of 5.23 and 4.97 respectively. LUF8100 can be used for research on immune homeostasis and cancer .
    LUF8100

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