2778223-60-0
2778223-60-0
Chemical Structure
HL-3-68
- CAS No.: 2778223-60-0
- Formula:C15H13Cl3N4O3
- Molecular Weight:403.65
InChIKey: BYGXXTSBJDGVES-UHFFFAOYSA-N
SMILES: O=C(C1=CC(NC(N1)=O)=O)N2CCN(C3=CC(Cl)=C(Cl)C(Cl)=C3)CC2
Biological Activity: HL-3-68 is a SARS-CoV-2 main protease (MPro) inhibitor (IC50 = 0.29 μM; Ki = 0.89 μM; Kd = 0.75 μM). HL-3-68 stabilizes the primary binding site of MPro, locks the S1 and S2 subsites, and reduces loop flexibility. HL-3-68 is used for COVID-19 research[1][2].
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HL-3-68 | HL-3-68 is a SARS-CoV-2 main protease (MPro) inhibitor (IC50 = 0.29 μM; Ki = 0.89 μM; Kd = 0.75 μM). HL-3-68 stabilizes the primary binding site of MPro, locks the S1 and S2 subsites, and reduces loop flexibility. HL-3-68 is used for COVID-19 research. | |||||||||||||||||||||
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References
- [1]. Bhandari D, et al. Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites. RSC Med Chem. 2026 Aug 14.
- [2]. Kneller DW, et al. Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J Med Chem. 2021 Dec 9;64(23):17366-17383. [Content Brief]
