Target family: Coronavirus (CoV) proteins (type: other_protein)
Target: CoV 3C-like (main) protease

Ligand: 3CL protease (Mpro) inhibitor M3 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.889999866485596 pIC50
Reference (Journal): Iterated Virtual Screening-Assisted Antiviral and Enzyme Inhibition Assays Reveal the Discovery of Novel Promising Anti-SARS-CoV-2 with Dual Activity.
Published in: Int J Mol Sci

Ligand: boceprevir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: EMA & FDA (2011)
Primary target: no
Median affinity: 5.380000114440918 pIC50
Reference (Journal): Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Published in: Cell Res

Ligand: boceprevir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: EMA & FDA (2011)
Primary target: no
Median affinity:  pIC50
Reference (Journal): A drug repurposing screen identifies hepatitis C antivirals as inhibitors of the SARS-CoV2 main protease.
Published in: PLoS One

Ligand: boceprevir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: EMA & FDA (2011)
Primary target: no
Median affinity: 5.929999828338623 pKi
Reference (Journal): Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Published in: Cell Res

Ligand: boceprevir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: EMA & FDA (2011)
Primary target: no
Median affinity:  pIC50
Reference (Journal): Broad-spectrum inhibition of coronavirus main and papain-like proteases by HCV drugs
Published in: Nature Research

Ligand: bofutrelvir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.28000020980835 pIC50
Reference (Journal): Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Published in: Science

Ligand: bofutrelvir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.849999904632568 pIC50
Reference (Journal): A head-to-head comparison of the inhibitory activities of 15 peptidomimetic SARS-CoV-2 3CLpro inhibitors.
Published in: Bioorg Med Chem Lett

Ligand: calpeptin (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.96999979019165 pIC50
Reference (Journal): Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Published in: Cell Res

Ligand: CCF981 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.170000076293945 pIC50
Reference (Journal): Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL<sup>pro</sup>).
Published in: J Med Chem

Ligand: CCF981 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.71999979019165 pIC50
Reference (Journal): Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL<sup>pro</sup>).
Published in: J Med Chem

Ligand: CDD-1976 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.429999828338623 pKi
Reference (Journal): DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M<sup>pro</sup> inhibitors.
Published in: Proc Natl Acad Sci U S A

Ligand: CMX990 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.630000114440918 pIC50
Reference (Journal): Discovery of CMX990: A Potent SARS-CoV-2 3CL Protease Inhibitor Bearing a Novel Warhead.
Published in: J Med Chem

Ligand: compound 10c [PMID: 35638577] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.619999885559082 pIC50
Reference (Journal): Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease
Published in: Journal of Medicinal Chemistry

Ligand: compound 10c [PMID: 35638577] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.480000019073486 pIC50
Reference (Journal): Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease
Published in: Journal of Medicinal Chemistry

Ligand: compound 11b [PMID: 32321856] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.400000095367432 pIC50
Reference (Journal): Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Published in: Science

Ligand: compound 11b [PMID: 32321856] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.639999866485596 pIC50
Reference (Journal): A head-to-head comparison of the inhibitory activities of 15 peptidomimetic SARS-CoV-2 3CLpro inhibitors.
Published in: Bioorg Med Chem Lett

Ligand: compound 11r [PMID: 32045235] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.739999771118164 pIC50
Reference (Journal): Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
Published in: Science

Ligand: compound 13b [PMID: 32198291] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.170000076293945 pIC50
Reference (Journal): Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
Published in: Science

Ligand: compound 13 [PMID: 33984473] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.960000038146973 pIC50
Reference (Journal): Promising anti-SARS-CoV-2 drugs by effective dual targeting against the viral and host proteases.
Published in: Bioorg Med Chem Lett

Ligand: compound 14 [PMID: 33786375] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.889999866485596 pIC50
Reference (Journal): Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Published in: ACS Cent Sci

Ligand: compound 15c [PMID: 34865476] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.300000190734863 pIC50
Reference (Journal): Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.
Published in: J Med Chem

Ligand: compound 15c [PMID: 34865476] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.769999980926514 pIC50
Reference (Journal): Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.
Published in: J Med Chem

Ligand: compound 15l [PMID: 34242027] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.71999979019165 pIC50
Reference (Journal): Peptidomimetic &#x3b1;-Acyloxymethylketone Warheads with Six-Membered Lactam P1 Glutamine Mimic: SARS-CoV-2 3CL Protease Inhibition, Coronavirus Antiviral Activity, and <i>in Vitro</i> Biological Stability.
Published in: J Med Chem