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Data for Coronaviruses: COVID-19, MERS & SARS
Special Covid-19 pages are also available at BioGRID and Guide to Pharmacology.

PMIDDataArticle TitleCitationOrganizationDepositionFiles Download
WO2021250648A1170 Nitrile-containing antiviral compoundsBDB WIPO WO2021250648A1 (2021) Pfizer Inc. 01/13/22 2D 3D
US11124497463 Inhibitors of cysteine proteases and methods of use thereofBDB US Patent US11124497 (2021) Pardes Biosciences, Inc. 01/13/22 2D 3D
WO2021205290A152 Compounds and method of treating covid-19BDB WIPO WO2021205290A1 (2021) Pfizer Inc. 01/13/22 2D 3D
WO2021205298A115 Compounds and methods for the treatment of covid-19BDB WIPO WO2021205298A1 (2021) Pfizer Inc. 01/13/22 2D 3D
34860011 49 Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.BDB J Am Chem Soc 143: 20697-20709 (2021) The University of Arizona 01/13/22 2D 3D
34528437 44 Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.BDB J Med Chem 64: 14702-14714 (2021) Purdue University 11/05/21 2D 3D
34651447 87 A patent review on SARS coronavirus main protease (3CLpro) inhibitors.BDB ChemMedChem (2021) Experimental Drug Development Centre 11/05/21 2D 3D
  2159 Open Science Discovery of Oral Non-Covalent SARS-CoV-2 Main Protease Inhibitor TherapeuticsBDB bioRxiv 2021: (2021) Israel Institution of Biological Research 11/05/21 2D 3D
  12 An oral SARS-CoV-2 Mpro inhibitor clinical candidate for the treatment of COVID-19BDB Science 374: 1-13 (2021) Pfizer 11/05/21 2D 3D
34665619 189 Design of SARS-CoV-2 PLpro Inhibitors for COVID-19 Antiviral Therapy Leveraging Binding Cooperativity.BDB J Med Chem (2021) University of Illinois at Chicago 11/05/21 2D 3D
34426525 6 DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 MBDB Proc Natl Acad Sci U S A 118: (2021) Baylor College of Medicine 09/11/21 2D 3D
34414360 60 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.BDB ACS Pharmacol Transl Sci 4: 1408-1421 (2021) The University of Arizona 09/10/21 2D 3D
34408808 72 Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency.BDB ACS Med Chem Lett 12: 1325-1332 (2021) Yale University 09/10/21 2D 3D
34347470 98 Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CLBDB J Med Chem 64: (2021) Cleveland Clinic 08/14/21 2D 3D
34271072 34 A head-to-head comparison of the inhibitory activities of 15 peptidomimetic SARS-CoV-2 3CLpro inhibitors.BDB Bioorg Med Chem Lett 48: 128263 (2021) A*STAR 07/29/21 2D 3D
34213885 38 Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.BDB J Med Chem 64: 10047-10058 (2021) Wichita State University 07/29/21 2D 3D
34408808 72 Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral PotencyBDB ACS Med Chem Lett 12: 1325-1332 (2021) Yale University 07/29/21 2D 3D
34242027 24 Peptidomimetic ?-Acyloxymethylketone Warheads with Six-Membered Lactam P1 Glutamine Mimic: SARS-CoV-2 3CL Protease Inhibition, Coronavirus Antiviral Activity, and BDB J Med Chem (2021) University of Alberta 07/29/21 2D 3D
US1087468712 Highly active compounds against COVID-19BDB US Patent US10874687 (2020) Atea Pharmaceuticals, Inc. 07/25/21 2D 3D
  37 Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation CalculationsBDB ACS Cent Sci (2021) Yale University 02/28/21 2D 3D
33602867 54 SARS-CoV-2 Mpro inhibitors with antiviral activity in a transgenic mouse modelBDB Science (2021) Sichuan University 02/28/21 2D 3D
30940566 17 Identification and design of novel small molecule inhibitors against MERS-CoV papain-like protease via high-throughput screening and molecular modeling.EBI Bioorg Med Chem 27: 1981-1989 (2019) University of Illinois at Chicago 02/24/21 2D 3D
WO2006061714A212 Anticoronaviral compounds and compositions, their pharmaceutical uses and materials for their synthesisBDB WIPO WO2006061714A2 (2006) Pfizer Inc. 01/31/21 2D 3D
  9 Inhibition of SARS-CoV-2 main protease by allosteric drug-bindingBDB bioRxiv 2020: (2020) Center for Free-Electron Laser Science 01/31/21 2D 3D
33283984 11 A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease InhibitorsBDB ChemMedChem (2020) Texas A&M University 01/31/21 2D 3D
  43 Identification of inhibitors of SARS-CoV-2 3CL-Pro enzymatic activity using a small molecule in-vitro repurposing screenBDB bioRxiv 2020: (2020) Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) 01/31/21 2D 3D
32366720 53 Identification of Antiviral Drug Candidates against SARS-CoV-2 from FDA-Approved Drugs.BDB Antimicrob Agents Chemother 64: (2020) Institut Pasteur Korea 11/13/20 2D 3D
32253226 4 An orally bioavailable broad-spectrum antiviral inhibits SARS-CoV-2 in human airway epithelial cell cultures and multiple coronaviruses in mice.BDB Sci Transl Med 12: 1-15 (2020) University of North Carolina at Chapel Hill 11/13/20 2D 3D
32852058 301 The recent outbreaks of human coronaviruses: A medicinal chemistry perspective.BDB Med Res Rev (2020) University of Bonn 11/07/20 2D 3D
26878082 196 An Overview of Severe Acute Respiratory Syndrome-Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy.BDB J Med Chem 59: 6595-628 (2016) University of Bonn 11/07/20 2D 3D
WO2005113580A1101 Anticoronviral compounds and compositions, their pharmaceutical uses and materials for their synthesisBDB WIPO WO2005113580A1 (2005) Pfizer Inc. 10/17/20 2D 3D
US9975885182 Broad-spectrum non-covalent coronavirus protease inhibitorsBDB US Patent US9975885 (2018) PURDUE RESEARCH FOUNDATION 09/25/20 2D 3D
32321856 4 Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.BDB Science 368: 1331-1335 (2020) Shanghai Institute of Materia Medica 09/21/20 2D 3D
32428392 7 Characterization and Noncovalent Inhibition of the Deubiquitinase and deISGylase Activity of SARS-CoV-2 Papain-Like Protease.BDB ACS Infect Dis 6: 2099-2109 (2020) University of Georgia 09/21/20 2D 3D
32198291 3 Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved ?-ketoamide inhibitors.BDB Science 368: 409-412 (2020) University of Lubeck 09/21/20 2D 3D
32803196 48 Identification of SARS-CoV-2 3CL Protease Inhibitors by a Quantitative High-throughput Screening.BDB bioRxiv (2020) National Institutes of Health 09/21/20 2D 3D
32935104 12 Discovery of a Novel Inhibitor of Coronavirus 3CL Protease as a Clinical Candidate for the Potential Treatment of COVID-19.BDB bioRxiv (2020) Pfizer Inc. 09/21/20 2D 3D
  4 Discovery of potent inhibitors of PLproCoV2 by screening a library of selenium-containing compoundsBDB bioRxiv 1-12 (2020) University ofAmsterdam 09/21/20 2D 3D
15950190 10 Screening of drugs by FRET analysis identifies inhibitors of SARS-CoV 3CL protease.BDB Biochem Biophys Res Commun 333: 194-9 (2005) National Taiwan University 09/21/20 2D 3D
32747425 43 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.BDB Sci Transl Med 12: (2020) Wichita State University 09/06/20 2D 3D
32272481 9 Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors BDB Nature 582: 289-293 (2020) ShanghaiTech University 09/06/20 2D 3D
24332657 35 Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings.EBI Bioorg Med Chem 22: 167-77 (2014) University of Illinois at Chicago 09/02/20 2D 3D
24316352 27 Synthesis, modification and docking studies of 5-sulfonyl isatin derivatives as SARS-CoV 3C-like protease inhibitors.EBI Bioorg Med Chem 22: 292-302 (2014) Tianjin University of Science and Technology 09/02/20 2D 3D
24125888 2 Design, synthesis, and bioevaluation of viral 3C and 3C-like protease inhibitors.EBI Bioorg Med Chem Lett 23: 6317-20 (2013) Kansas State University 09/01/20 2D 3D
23202846 4 Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases.EBI Eur J Med Chem 59: 1-6 (2013) The Chinese University of Hong Kong 08/31/20 2D 3D
20947359 18 Synthesis and evaluation of pyrazolone compounds as SARS-coronavirus 3C-like protease inhibitors.EBI Bioorg Med Chem 18: 7849-54 (2010) Academia Sinica 08/28/20 2D 3D
19540764 1 Quantitative high-throughput screening identifies inhibitors of anthrax-induced cell death.EBI Bioorg Med Chem 17: 5139-45 (2009) National Human Genome Research Institute 08/27/20 2D 3D
20167482 10 SARS-CoV 3CLpro inhibitory effects of quinone-methide triterpenes from Tripterygium regelii.EBI Bioorg Med Chem Lett 20: 1873-6 (2010) Korea Research Institute of Bioscience and Biotechnology 08/27/20 2D 3D
19362479 15 New developments for the design, synthesis and biological evaluation of potent SARS-CoV 3CL(pro) inhibitors.EBI Bioorg Med Chem Lett 19: 2722-7 (2009) Kyoto Pharmaceutical University 08/27/20 2D 3D
17709464 8 Novel small-molecule inhibitors of transmissible gastroenteritis virus.EBI Antimicrob Agents Chemother 51: 3924-31 (2007) National Health Research Institute 08/27/20 2D 3D
17855091 7 Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors.EBI Bioorg Med Chem Lett 17: 5876-80 (2007) Purdue University 08/24/20 2D 3D
29544147 36 Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.EBI Eur J Med Chem 150: 334-346 (2018) Wichita State University 08/16/20 2D 3D
27240464 24 Identification, synthesis and evaluation of SARS-CoV and MERS-CoV 3C-like protease inhibitors.EBI Bioorg Med Chem 24: 3035-3042 (2016) Academia Sinica 09/14/17 2D 3D
23323951 10 Phenolic phytochemical displaying SARS-CoV papain-like protease inhibition from the seeds of Psoralea corylifolia.BDB J Enzyme Inhib Med Chem 29: 59-63 (2014) Gyeongsang National University 08/28/17 2D 3D
25746232 16 Inhibitor recognition specificity of MERS-CoV papain-like protease may differ from that of SARS-CoV.BDB ACS Chem Biol 10: 1456-65 (2015) University of Illinois at Chicago 10/15/15 2D 3D
22884354 36 Tanshinones as selective and slow-binding inhibitors for SARS-CoV cysteine proteases.EBI Bioorg Med Chem 20: 5928-35 (2012) Korea Research Institute of Bioscience and Biotechnology 05/17/13 2D 3D
19144641 8 Structural basis of inhibition specificities of 3C and 3C-like proteases by zinc-coordinating and peptidomimetic compounds.BDB J Biol Chem 284: 7646-55 (2009) National Yang-Ming University 10/29/12 2D 3D
21470860 9 Virtual screening identification of novel severe acute respiratory syndrome 3C-like protease inhibitors and in vitro confirmation.EBI Bioorg Med Chem Lett 21: 3088-91 (2011) Chonnam National University 12/04/11 2D 3D
16638531 16 Stable benzotriazole esters as mechanism-based inactivators of the severe acute respiratory syndrome 3CL protease.BDB Chem Biol 13: 261-8 (2006) Academia Sinica 07/07/11 2D 3D
19625187 22 Investigation of the pharmacophore space of Severe Acute Respiratory Syndrome coronavirus (SARS-CoV) NTPase/helicase by dihydroxychromone derivatives.EBI Bioorg Med Chem Lett 19: 4538-41 (2009) Konkuk University 08/27/10 2D 3D
19233643 16 Aryl diketoacids (ADK) selectively inhibit duplex DNA-unwinding activity of SARS coronavirus NTPase/helicase.EBI Bioorg Med Chem Lett 19: 1636-8 (2009) Konkuk University 01/11/10 2D 3D
17381079 8 Design, synthesis, and evaluation of inhibitors for severe acute respiratory syndrome 3C-like protease based on phthalhydrazide ketones or heteroaromatic esters.EBI J Med Chem 50: 1850-64 (2007) University of Alberta 11/10/09 2D 3D
16250632 2 Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors.EBI J Med Chem 48: 6767-71 (2005) Purdue University 11/10/09 2D 3D
16759084 12 Isatin compounds as noncovalent SARS coronavirus 3C-like protease inhibitors.EBI J Med Chem 49: 3440-3 (2006) Peking University 11/10/09 2D 3D
15896959 14 Synthesis and evaluation of isatin derivatives as effective SARS coronavirus 3CL protease inhibitors.EBI Bioorg Med Chem Lett 15: 3058-62 (2005) Development Center for Biotechnology 11/10/09 2D 3D
19645480 24 Structure-Based Design, Synthesis, and Biological Evaluation of a Series of Novel and Reversible Inhibitors for the Severe Acute Respiratory Syndrome-Coronavirus Papain-Like Protease.BDB J Med Chem 52: 5228-40 (2009) Purdue University 09/14/09 2D 3D
18343121 2 Structure-based virtual screening against SARS-3CL(pro) to identify novel non-peptidic hits.BDB Bioorg Med Chem 16: 4138-49 (2008) University of Mississippi 07/08/08 2D 3D
16913704 21 Structure-based drug design and structural biology study of novel nonpeptide inhibitors of severe acute respiratory syndrome coronavirus main protease.BDB J Med Chem 49: 5154-61 (2006) National Defense Medical Center 09/26/06 2D 3D
16759091 28 Discovery of a novel family of SARS-CoV protease inhibitors by virtual screening and 3D-QSAR studies.BDB J Med Chem 49: 3485-95 (2006) National Tsing Hua University 09/26/06 2D 3D
15974598 9 Discovery of potent anilide inhibitors against the severe acute respiratory syndrome 3CL protease.BDB J Med Chem 48: 4469-73 (2005) National Taiwan University 09/26/06 2D 3D
15994085 21 Inhibition of the severe acute respiratory syndrome 3CL protease by peptidomimetic alpha,beta-unsaturated esters.BDB Bioorg Med Chem 13: 5240-52 (2005) National Taiwan University 09/26/06 2D 3D
16884309 5 Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor.BDB J Med Chem 49: 4971-80 (2006) TaiGen Biotechnology Co. 09/23/06 2D 3D
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