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

Ligand: Z-FA-FMK (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.940000057220459 pIC50
Reference (Journal): Identification of SARS-CoV-2 3CL Protease Inhibitors by a Quantitative High-throughput Screening.
Published in: ACS Pharmacol Transl Sci

Ligand: Z-AVLD-FMK (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9.100000381469727 pIC50
Reference (Journal): Identifying SARS-CoV-2 antiviral compounds by screening for small molecule inhibitors of Nsp5 main protease.
Published in: Biochem J

Ligand: YH-6 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.420000076293945 pIC50
Reference (Journal): Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
Published in: J Med Chem

Ligand: YH-53 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.460000038146973 pKi
Reference (Journal): 3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents.
Published in: J Med Chem

Ligand: YH-53 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.199999809265137 pKi
Reference (Journal): Development of potent dipeptide-type SARS-CoV 3CL protease inhibitors with novel P3 scaffolds: design, synthesis, biological evaluation, and docking studies.
Published in: Eur J Med Chem

Ligand: YH-53 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.75 pKi
Reference (Journal): Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
Published in: J Med Chem

Ligand: YH-53 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.75 pKi
Reference (Journal): A small molecule compound with an indole moiety inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Published in: Nat Commun

Ligand: WU-04 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.260000228881836 pIC50
Reference (Journal): Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Published in: ACS Cent Sci

Ligand: WU-04 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.139999866485596 pIC50
Reference (Journal): Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Published in: ACS Cent Sci

Ligand: WU-04 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.429999828338623 pKd
Reference (Journal): Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Published in: ACS Cent Sci

Ligand: WU-04 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.989999771118164 pIC50

Ligand: withanone (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.739999771118164 pIC50
Reference (Journal): The Natural Products Withaferin A and Withanone from the Medicinal Herb <i>Withania somnifera</i> Are Covalent Inhibitors of the SARS-CoV-2 Main Protease.
Published in: J Nat Prod

Ligand: withaferin A (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.269999980926514 pIC50
Reference (Journal): The Natural Products Withaferin A and Withanone from the Medicinal Herb <i>Withania somnifera</i> Are Covalent Inhibitors of the SARS-CoV-2 Main Protease.
Published in: J Nat Prod

Ligand: walrycin B (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.590000152587891 pIC50
Reference (Journal): Identification of SARS-CoV-2 3CL Protease Inhibitors by a Quantitative High-throughput Screening.
Published in: ACS Pharmacol Transl Sci

Ligand: UAWJ9-36-3 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.269999980926514 pIC50
Reference (Journal): Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Published in: ACS Pharmacol Transl Sci

Ligand: UAWJ9-36-3 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7 pIC50
Reference (Journal): Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Published in: ACS Pharmacol Transl Sci

Ligand: UAWJ248 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.920000076293945 pIC50
Reference (Journal): Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M<sup>pro</sup> and cathepsin L.
Published in: Sci Adv

Ligand: TKB245 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.149999618530273 pIC50
Reference (Patent): COMPOUND EXHIBITING PHYSIOLOGICAL ACTIVITY SUCH AS ANTIVIRAL ACTIVITY

Ligand: TG-0205221 (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.050000190734863 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: TG-0205221 (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.28000020980835 pKi
Reference (Journal): Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor.
Published in: J Med Chem

Ligand: TG-0203770 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.239999771118164 pKi
Reference (Journal): Structural basis of inhibition specificities of 3C and 3C-like proteases by zinc-coordinating and peptidomimetic compounds.
Published in: J Biol Chem

Ligand: telaprevir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.940000057220459 pIC50
Reference (Journal): Uncovering Flexible Active Site Conformations of SARS-CoV-2 3CL Proteases through Protease Pharmacophore Clusters and COVID-19 Drug Repurposing.
Published in: ACS Nano

Ligand: SY110 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.840000152587891 pIC50
Reference (Journal): A new generation M<sup>pro</sup> inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Published in: Signal Transduct Target Ther

Ligand: PRD_002214 (Synthetic organic)
Interaction type: Inhibitor
Action: Irreversible inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Structure of Mpro from COVID-19 virus and discovery of its inhibitors
Published in: bioRxiv

Ligand: PRD_002214 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.050000190734863 pIC50
Reference (Journal): Design of wide-spectrum inhibitors targeting coronavirus main proteases.
Published in: PLoS Biol

Ligand: pomotrelvir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.569999694824219 pKi
Reference (Journal): Evaluation of <i>in vitro</i> antiviral activity of SARS-CoV-2 M<sup>pro</sup> inhibitor pomotrelvir and cross-resistance to nirmatrelvir resistance substitutions.
Published in: Antimicrob Agents Chemother

Ligand: pomotrelvir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.420000076293945 pIC50
Reference (Journal): Evaluation of <i>in vitro</i> antiviral activity of SARS-CoV-2 M<sup>pro</sup> inhibitor pomotrelvir and cross-resistance to nirmatrelvir resistance substitutions.
Published in: Antimicrob Agents Chemother

Ligand: pomotrelvir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.619999885559082 pIC50
Reference (Journal): Evaluation of <i>in vitro</i> antiviral activity of SARS-CoV-2 M<sup>pro</sup> inhibitor pomotrelvir and cross-resistance to nirmatrelvir resistance substitutions.
Published in: Antimicrob Agents Chemother

Ligand: pomotrelvir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.349999904632568 pIC50
Reference (Journal): Evaluation of <i>in vitro</i> antiviral activity of SARS-CoV-2 M<sup>pro</sup> inhibitor pomotrelvir and cross-resistance to nirmatrelvir resistance substitutions.
Published in: Antimicrob Agents Chemother

Ligand: PF-00835231 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.399999618530273 pKi
Reference (Journal): Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
Published in: J Med Chem

Ligand: PF-00835231 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.100000381469727 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: PET-UNK-29afea89-2 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.099999904632568 pIC50
Reference (Journal): Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Published in: ACS Pharmacol Transl Sci

Ligand: NK01-63 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.800000190734863 pIC50
Reference (Journal): Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Published in: Nat Commun

Ligand: nirmatrelvir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: UK MHRA (2021), EMA (2022), FDA (2023)
Primary target: no
Median affinity: 7.480000019073486 pIC50
Reference (Journal): Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
Published in: J Am Chem Soc

Ligand: nirmatrelvir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: UK MHRA (2021), EMA (2022), FDA (2023)
Primary target: no
Median affinity: 7.71999979019165 pIC50

Ligand: nirmatrelvir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: UK MHRA (2021), EMA (2022), FDA (2023)
Primary target: no
Median affinity: 9.569999694824219 pKi
Reference (Journal): An oral SARS-CoV-2 M<sup>pro</sup> inhibitor clinical candidate for the treatment of COVID-19.
Published in: Science

Ligand: Mpro inhibitor 13b (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.920000076293945 pIC50
Reference (Journal): Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
Published in: J Med Chem

Ligand: MPI60 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.659999847412109 pIC50
Reference (Journal): A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
Published in: J Med Chem

Ligand: MPD2 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.389999866485596 pIC50
Reference (Journal): Discovery of First-in-Class PROTAC Degraders of SARS-CoV-2 Main Protease.
Published in: J Med Chem

Ligand: MP13 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.480000019073486 pIC50
Reference (Journal): A Speedy Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors.
Published in: bioRxiv

Ligand: ML300 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.300000190734863 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: ML300 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.349999904632568 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: ML300 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.389999866485596 pIC50
Reference (Journal): Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: identification of ML300 and noncovalent nanomolar inhibitors with an induced-fit binding.
Published in: Bioorg Med Chem Lett

Ligand: ML1000 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.46999979019165 pIC50
Reference (Journal): Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases
Published in: bioRxiv

Ligand: MK-7845 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.0600004196167 pIC50
Reference (Journal): Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
Published in: J Med Chem

Ligand: MI-30 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.760000228881836 pIC50
Reference (Journal): SARS-CoV-2 M<sup>pro</sup> inhibitors with antiviral activity in a transgenic mouse model.
Published in: Science

Ligand: MI-28 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.039999961853027 pIC50
Reference (Journal): SARS-CoV-2 M<sup>pro</sup> inhibitors with antiviral activity in a transgenic mouse model.
Published in: Science

Ligand: MI-23 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.119999885559082 pIC50
Reference (Journal): SARS-CoV-2 M<sup>pro</sup> inhibitors with antiviral activity in a transgenic mouse model.
Published in: Science

Ligand: MI-21 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.119999885559082 pIC50
Reference (Journal): SARS-CoV-2 M<sup>pro</sup> inhibitors with antiviral activity in a transgenic mouse model.
Published in: Science

Ligand: MI-14 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.889999866485596 pIC50
Reference (Journal): SARS-CoV-2 M<sup>pro</sup> inhibitors with antiviral activity in a transgenic mouse model.
Published in: Science

Ligand: MI-13 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.909999847412109 pIC50
Reference (Journal): SARS-CoV-2 M<sup>pro</sup> inhibitors with antiviral activity in a transgenic mouse model.
Published in: Science

Ligand: MI-11 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.880000114440918 pIC50
Reference (Journal): SARS-CoV-2 M<sup>pro</sup> inhibitors with antiviral activity in a transgenic mouse model.
Published in: Science

Ligand: MI-09 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.820000171661377 pIC50
Reference (Journal): SARS-CoV-2 M<sup>pro</sup> inhibitors with antiviral activity in a transgenic mouse model.
Published in: Science

Ligand: MI-06 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.840000152587891 pIC50
Reference (Journal): SARS-CoV-2 M<sup>pro</sup> inhibitors with antiviral activity in a transgenic mouse model.
Published in: Science

Ligand: MI-05 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.880000114440918 pIC50
Reference (Journal): SARS-CoV-2 M<sup>pro</sup> inhibitors with antiviral activity in a transgenic mouse model.
Published in: Science

Ligand: MG-132 (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.409999847412109 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: MG-115 (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.210000038146973 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: MAT-POS-e194df51-1 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.429999828338623 pIC50
Reference (Journal): Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Published in: Science

Ligand: MAT-POS-b3e365b9-1 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.699999809265137 pIC50
Reference (Journal): Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Published in: ACS Pharmacol Transl Sci

Ligand: MAT-POS-932d1078-3 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.71999979019165 pIC50
Reference (Journal): Open Science Discovery of Oral Non-Covalent SARS-CoV-2 Main Protease Inhibitor Therapeutics
Published in: bioRxiv

Ligand: Jun10541R (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.460000038146973 pKi
Reference (Journal): Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Published in: Eur J Med Chem

Ligand: jobosic acid (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.539999961853027 pIC50
Reference (Journal): Metabolomic Analysis and Antiviral Screening of a Marine Algae Library Yield Jobosic Acid (2,5-Dimethyltetradecanoic Acid) as a Selective Inhibitor of SARS-CoV-2.
Published in: J Nat Prod

Ligand: INSCoV-614 (1B) (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.21999979019165 pIC50
Reference (Patent): Sars-cov-2 inhibitors having covalent modifications for treating coronavirus infections

Ligand: imocitrelvir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.329999923706055 pIC50
Reference (Journal): Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Published in: Antiviral Res

Ligand: imocitrelvir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.539999961853027 pIC50
Reference (Journal): Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Published in: Antiviral Res

Ligand: ibuzatrelvir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.520000457763672 pKi
Reference (Patent): Nitrile-Containing Antiviral Compounds

Ligand: GRL-0496 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.300000190734863 pIC50
Reference (Webpage): MPro Activity Data

Ligand: GRL-0496 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.519999980926514 pIC50
Reference (Journal): Design, synthesis and antiviral efficacy of a series of potent chloropyridyl ester-derived SARS-CoV 3CLpro inhibitors.
Published in: Bioorg Med Chem Lett

Ligand: GDI-036 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.699999809265137 pIC50
Reference (Patent): 3CL PROTEASE SMALL-MOLECULE INHIBITOR FOR TREATING OR PREVENTING CORONAVIRUS INFECTION, AND USE THEREOF

Ligand: GC-376 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.139999866485596 pIC50
Reference (Journal): Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
Published in: J Am Chem Soc

Ligand: GC-376 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.519999980926514 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: GC-376 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.71999979019165 pIC50
Reference (Journal): Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Published in: Nat Commun

Ligand: GC-376 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.389999866485596 pIC50
Reference (Journal): Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Published in: Proc Natl Acad Sci U S A

Ligand: GC-376 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.389999866485596 pIC50
Reference (Journal): Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Published in: ACS Pharmacol Transl Sci

Ligand: GC-376 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.389999866485596 pIC50
Reference (Journal): Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Published in: ACS Pharmacol Transl Sci

Ligand: GC-376 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.300000190734863 pIC50
Reference (Journal): Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Published in: Nat Commun

Ligand: GC-373 (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.150000095367432 pIC50
Reference (Journal): Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Published in: Nat Commun

Ligand: GC-373 (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.400000095367432 pIC50
Reference (Journal): Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Published in: Nat Commun

Ligand: GC-373 (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.380000114440918 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: example I-1 [WO2023283831] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.699999809265137 pIC50
Reference (Patent): VIRUS MAIN PROTEASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE

Ligand: example 4 [WO2017114509] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.46999979019165 pIC50
Reference (Journal): Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2.
Published in: J Med Chem

Ligand: example 45 [WO2022229458] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.239999771118164 pIC50
Reference (Patent): SUBSTITUTED HYDANTOIN COMPOUNDS, METHODS FOR PREPARATION THEREOF AND USE THEREOF IN THE TREATMENT AND/OR PREVENTION OF A CORONA VIRUS DISEASE

Ligand: example 37 [WO2022021841A1] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.149999618530273 pIC50

Ligand: example 18 [WO2022013684] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.8100004196167 pIC50
Reference (Patent): Antiviral heteroaryl ketone derivatives

Ligand: example 10 [WO2022129953] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.199999809265137 pKi
Reference (Patent): SARS-COV-2 MPRO INHIBITOR COMPOUNDS

Ligand: example 100 [WO2022043374] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.510000228881836 pIC50
Reference (Patent): Aminocarbamoyl compounds for the treatment of viral infections

Ligand: example 100 [WO2022043374] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.619999885559082 pIC50
Reference (Patent): Aminocarbamoyl compounds for the treatment of viral infections

Ligand: ensitrelvir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: Japan 2022
Primary target: no
Median affinity: 7.889999866485596 pIC50
Reference (Journal): Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
Published in: J Med Chem

Ligand: DAV-CRI-14a23e73-1 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.329999923706055 pIC50
Reference (Webpage): MPro Activity Data

Ligand: CoV Mpro VHL PROTAC 9 [US11518759] (Synthetic organic)
Interaction type: None
Action: Binding
Ligand approved: no
Primary target: no
Median affinity: 7 pIC50
Reference (Patent): Protacs based on VHL ligand targeting coronavirus 3CL protease and preparation method and application thereof

Ligand: CoV Mpro CRBN PROTAC 9 [US11530195] (Synthetic organic)
Interaction type: None
Action: Binding
Ligand approved: no
Primary target: no
Median affinity: 7 pIC50
Reference (Patent): Protacs targeting coronavirus 3CL protease and preparation method and application thereof

Ligand: compound 8 [PMID: 33655614] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.619999885559082 pKi
Reference (Journal): Targeting the Main Protease of SARS-CoV-2: From the Establishment of High Throughput Screening to the Design of Tailored Inhibitors.
Published in: Angew Chem Int Ed Engl

Ligand: compound 84 [PMID: 38753594] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.489999771118164 pIC50
Reference (Journal): Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
Published in: J Med Chem

Ligand: compound 7d [PMID: 34528437] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.139999866485596 pKi
Reference (Journal): Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
Published in: J Med Chem

Ligand: compound 6 [WO2022133588] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9 pIC50
Reference (Patent): RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF

Ligand: compound 6j [PMID: 32747425] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.320000171661377 pIC50
Reference (Journal): 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Published in: Sci Transl Med

Ligand: compound 6j [PMID: 32747425] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.920000076293945 pIC50
Reference (Journal): 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Published in: Sci Transl Med

Ligand: compound 6e [PMID: 32747425] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.050000190734863 pIC50
Reference (Journal): 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Published in: Sci Transl Med

Ligand: compound 6e [PMID: 32747425] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.769999980926514 pIC50
Reference (Journal): 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Published in: Sci Transl Med

Ligand: compound 5 [Zhang et al., 2021] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.849999904632568 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 Central Science

Ligand: compound 58 [WO2021252491A1] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.699999809265137 pIC50
Reference (Patent): Anti-viral compounds for treating coronavirus, picornavirus, and norovirus infections

Ligand: compound 4d [PMID: 38746883] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.260000228881836 pIC50
Reference (Journal): Identification of Dual Inhibitors Targeting Main Protease (M<sup>pro</sup>) and Cathepsin L as Potential Anti-SARS-CoV-2 Agents.
Published in: ACS Med Chem Lett

Ligand: compound 451 [WO2021252644A1] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  pIC50
Reference (Patent): Inhibitors of cysteine proteases and methods of use thereof

Ligand: compound 40 [PMID: 34347470] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.769999980926514 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: compound 3 [PMID: 16884309] (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.179999828338623 pKi
Reference (Journal): Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor.
Published in: J Med Chem

Ligand: compound 3 [PMID: 16884309] (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.539999961853027 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 2i [PMID: 23245752] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.03000020980835 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 2i [PMID: 23245752] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.769999980926514 pIC50
Reference (Journal): Design and synthesis of new tripeptide-type SARS-CoV 3CL protease inhibitors containing an electrophilic arylketone moiety.
Published in: Bioorg Med Chem

Ligand: compound 2a [PMID: 34213885] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.739999771118164 pIC50
Reference (Journal): Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
Published in: J Med Chem

Ligand: compound 25c [PMID: 23747811] (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.679999828338623 pIC50
Reference (Journal): Design, synthesis, and biological evaluation of novel dipeptide-type SARS-CoV 3CL protease inhibitors: structure-activity relationship study.
Published in: Eur J Med Chem

Ligand: compound 23 [PMID: 33786375] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.619999885559082 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 21 [PMID: 34408808] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.210000038146973 pIC50
Reference (Journal): Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency
Published in: ACS Medicinal Chemistry Letters

Ligand: compound 21 [PMID: 34347470] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.199999809265137 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: compound 21 [PMID: 33786375] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.71999979019165 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 1 [PMID: 34210738] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.769999980926514 pIC50
Reference (Journal): Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Published in: Proc Natl Acad Sci U S A

Ligand: compound 19 [PMID: 35142215] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.420000076293945 pKd
Reference (Journal): Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
Published in: J Am Chem Soc

Ligand: compound 19 [PMID: 35142215] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.110000133514404 pIC50
Reference (Journal): Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
Published in: J Am Chem Soc

Ligand: compound 19 [PMID: 34347470] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.96999979019165 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: compound 19 [PMID: 33786375] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.360000133514404 pIC50
Reference (Journal): Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency
Published in: ACS Medicinal Chemistry Letters

Ligand: compound 17 [PMID: 34408808] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.230000019073486 pIC50
Reference (Journal): Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency.
Published in: ACS Med Chem Lett

Ligand: compound 17 [PMID: 33655614] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.190000057220459 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 17 [PMID: 33655614] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.149999618530273 pIC50
Reference (Patent): Compounds that inhibit 3c and 3cl proteases and methods of use thereof

Ligand: compound 17 [PMID: 33655614] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8 pKi
Reference (Journal): Targeting the Main Protease of SARS-CoV-2: From the Establishment of High Throughput Screening to the Design of Tailored Inhibitors.
Published in: Angew Chem Int Ed Engl

Ligand: compound 16 [PMID: 34408808] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.210000038146973 pIC50
Reference (Journal): Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency.
Published in: ACS Med Chem Lett

Ligand: compound 15 [PMID: 34438124] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.139999866485596 pIC50
Reference (Journal): Discovery of juglone and its derivatives as potent SARS-CoV-2 main proteinase inhibitors.
Published in: Eur J Med Chem

Ligand: compound 15m [PMID: 34242027] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.849999904632568 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