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CoV 3C-like (main) protease

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Target not currently curated in GtoImmuPdb

Target id: 3111

Nomenclature: CoV 3C-like (main) protease

Family: Coronavirus (CoV) proteins

Gene and Protein Information Click here for help
Species TM AA Chromosomal Location Gene Symbol Gene Name Reference
SARS-CoV-2 - 306
SARS-CoV - 306
Gene and Protein Information Comments
The SARS-CoV main protease (Mpro) is a 306 amino acid cysteine protease that is encoded in the viral RNA replicase gene. It is amino acids 3241-3546 of the full length SARS-CoV polyprotein (3919 amino acids).
The SARS-CoV-2 Mpro is also 306 amino acids (3264-3569 of the full length polyprotein). The RefSeq YP_009725301 was allocated to SARS-CoV-2 Mpro. The protein has been crystalised in complex with the inhibitor PRD_002214 (N3), and the structure was submitted to the RCSB Protein Databank with ID 6LU7 [34]. The UniProt ID P0DTD1 refers to the complete SARS-CoV-2 replicase polyprotein (length 7096 amino acids). Mpro has been assigned the IUBMB enzyme nomenclature identifier EC 3.4.22.69.
Previous and Unofficial Names Click here for help
3c-like proteinase | SARS-CoV-2 Mpro | Chain A, 3c-like Proteinase | 3CL protease | Mpro | nsp5
Database Links Click here for help
ChEMBL Target
RefSeq Protein
UniProtKB
Selected 3D Structures Click here for help
Image of receptor 3D structure from RCSB PDB
Description:  Structure of SARS-CoV-2 3CL protease in complex with inhibitor 10c
PDB Id:  7T49
Ligand:  compound 10c [PMID: 35638577]
Resolution:  1.75Å
Species:  SARS-CoV-2
References:  18
Image of receptor 3D structure from RCSB PDB
Description:  Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
PDB Id:  6Y2F
Ligand:  compound 13b [PMID: 32198291]
Resolution:  1.95Å
Species:  SARS-CoV-2
References:  81
Image of receptor 3D structure from RCSB PDB
Description:  The crystal structure of COVID-19 main protease in complex with an inhibitor N3 (PRD_002214).
PDB Id:  6LU7
Ligand:  PRD_002214
Resolution:  2.16Å
Species:  SARS-CoV-2
References:  34
Image of receptor 3D structure from RCSB PDB
Description:  The crystal structure of COVID-19 main protease in complex with an inhibitor 11a
PDB Id:  6LZE
Ligand:  bofutrelvir
Resolution:  1.5Å
Species:  SARS-CoV-2
References:  16
Image of receptor 3D structure from RCSB PDB
Description:  Crystal structure of SARS-CoV 3C-like protease in apo form
PDB Id:  3VB3
Resolution:  2.2Å
Species:  SARS-CoV
References:  12
Image of receptor 3D structure from RCSB PDB
Description:  Crystal structure of SARS coronavirus 3CL protease inhibitor complex
PDB Id:  2GX4
Ligand:  TG-0205221
Resolution:  1.93Å
Species:  SARS-CoV
References:  73
Image of receptor 3D structure from RCSB PDB
Description:  Covalent complex of SARS-CoV main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
PDB Id:  6XHL
Ligand:  PF-00835231
Resolution:  1.47Å
Species:  SARS-CoV
References:  31
Image of receptor 3D structure from RCSB PDB
Description:  Crystal structure of SARS-CoV-2 main protease in complex with MI-23
PDB Id:  7D3I
Ligand:  MI-23
Resolution:  2.0Å
Species:  SARS-CoV-2
References:  53
Image of receptor 3D structure from RCSB PDB
Description:  The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib
PDB Id:  7JU7
Ligand:  masitinib
Resolution:  1.6Å
Species:  SARS-CoV-2
References:  21
Image of receptor 3D structure from RCSB PDB
Description:  Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3
PDB Id:  7lyi
Ligand:  UAWJ9-36-3
Resolution:  1.9Å
Species:  SARS-CoV-2
References:  70
Image of receptor 3D structure from RCSB PDB
Description:  Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332
PDB Id:  7VH8
Ligand:  nirmatrelvir
Resolution:  1.59Å
Species:  SARS-CoV-2
References:  82
Image of receptor 3D structure from RCSB PDB
Description:  Structure of SARS-CoV2 3CL protease covalently bound to peptidomimetic inhibitor
PDB Id:  7MBI
Ligand:  compound 15l [PMID: 34242027]
Resolution:  2.15Å
Species:  SARS-CoV-2
References:  3
Image of receptor 3D structure from RCSB PDB
Description:  Crystal structure of the SARS-CoV-2 main protease (Omicron variant) in complex with SY110
PDB Id:  8HHU
Ligand:  SY110
Resolution:  2.26Å
Species:  SARS-CoV-2
References:  33
Image of receptor 3D structure from RCSB PDB
Description:  Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10541R
PDB Id:  8FIV
Ligand:  Jun10541R
Resolution:  2.51Å
Species:  SARS-CoV-2
References:  58
EC number (SARS-CoV-2)
3.4.22.69

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Inhibitors
Key to terms and symbols View all chemical structures Click column headers to sort
Ligand Sp. Action Value Parameter Reference
WU-04 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.4 pKd 32
pKd 7.4 (Kd 3.7x10-8 M) [32]
Description: binding to SARS-CoV-2 Mpro
compound 19 [PMID: 35142215] Small molecule or natural product SARS-CoV-2 Inhibition 7.4 pKd 43
pKd 7.4 (Kd 3.8x10-8 M) [43]
Description: Binding affinity
nirmatrelvir Small molecule or natural product Approved drug Ligand has a PDB structure SARS-CoV-2 Inhibition 9.6 pKi 48
pKi 9.6 (Ki 2.71x10-10 M) [48]
Description: Determined in vitro, in a TR-FRET enzyme assay
pomotrelvir Small molecule or natural product SARS-CoV-2 Inhibition 8.6 pKi 62
pKi 8.6 (Ki 2.7x10-9 M) [62]
PF-07817883 Small molecule or natural product SARS-CoV-2 Inhibition 8.5 pKi 50
pKi 8.5 (Ki 3x10-9 M) [50]
PF-00835231 Small molecule or natural product Ligand has a PDB structure SARS-CoV Inhibition 8.4 pKi 31
pKi 8.4 (Ki 4x10-9 M) [31]
Description: Determined using an in vitro SARS-CoV-1 3CLpro FRET assay.
YH-53 Small molecule or natural product Ligand has a PDB structure SARS-CoV Inhibition 8.2 pKi 59
pKi 8.2 (Ki 6.3x10-9 M) [59]
example 10 [WO2022129953] Small molecule or natural product SARS-CoV-2 Inhibition 8.2 pKi 13
pKi 8.2 (Ki 6.3x10-9 M) [13]
compound 17 [PMID: 33655614] Small molecule or natural product SARS-CoV-2 Inhibition 8.0 pKi 7
pKi 8.0 (Ki 1x10-8 M) [7]
compound 8 [PMID: 33655614] Small molecule or natural product SARS-CoV-2 Inhibition 7.6 pKi 7
pKi 7.6 (Ki 2.4x10-8 M) [7]
YH-53 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.5 – 7.8 pKi 25,29,35
pKi 7.8 (Ki 1.76x10-8 M) [25,29]
pKi 7.5 (Ki 3.47x10-8 M) [35]
CDD-1976 Small molecule or natural product SARS-CoV-2 Inhibition 7.4 pKi 9
pKi 7.4 (Ki 3.7x10-8 M) [9]
TG-0205221 Peptide Ligand has a PDB structure SARS-CoV Inhibition 7.3 pKi 73
pKi 7.3 (Ki 5.3x10-8 M) [73]
TG-0203770 Small molecule or natural product Ligand has a PDB structure SARS-CoV Inhibition 7.2 pKi 38
pKi 7.2 (Ki 5.8x10-8 M) [38]
compound 7d [PMID: 34528437] Small molecule or natural product SARS-CoV-2 Inhibition 7.1 pKi 25
pKi 7.1 (Ki 7.3x10-8 M) [25]
Jun10541R Small molecule or natural product SARS-CoV-2 Inhibition 6.5 pKi 58
pKi 6.5 (Ki 3.453x10-7 M) [58]
compound 3 [PMID: 16884309] Peptide SARS-CoV Inhibition 6.2 pKi 73
pKi 6.2 (Ki 6.6x10-7 M) [73]
boceprevir Small molecule or natural product Approved drug SARS-CoV-2 Inhibition 5.9 pKi 44
pKi 5.9 (Ki 1.18x10-6 M) [44]
Description: Inhibition of recombinat enzyme in vitro.
Z-AVLD-FMK Peptide SARS-CoV-2 Inhibition 9.1 pIC50 45
pIC50 9.1 (IC50 8x10-10 M) [45]
Description: Inhibition in a FRET-based enzyme activity assay
compound 6 [WO2022133588] Small molecule or natural product SARS-CoV-2 Inhibition 9.0 pIC50 47
pIC50 9.0 (IC50 1x10-9 M) [47]
example 18 [WO2022013684] Small molecule or natural product SARS-CoV-2 Inhibition 8.8 pIC50 49
pIC50 8.8 (IC50 1.55x10-9 M) [49]
YH-6 Small molecule or natural product SARS-CoV-2 Inhibition 8.4 pIC50 30
pIC50 8.4 (IC50 3.8x10-9 M) [30]
compound 15g {PMID: 34242027] Small molecule or natural product SARS-CoV-2 Inhibition 8.2 pIC50 3
pIC50 8.2 (IC50 6.4x10-9 M) [3]
compound 17 [PMID: 33655614] Small molecule or natural product SARS-CoV Inhibition 8.1 pIC50 6
pIC50 8.1 (IC50 7x10-9 M) [6]
example 37 [WO2022021841A1] Small molecule or natural product SARS-CoV-2 Inhibition 8.1 pIC50
pIC50 8.1 (IC50 7x10-9 M)
Description: In vitro enzymatic activity inhibition
TKB245 Small molecule or natural product SARS-CoV-2 Inhibition 8.1 pIC50 46
pIC50 8.1 (IC50 7x10-9 M) [46]
Description: inhibition of enzyme activity
MI-23 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 8.1 pIC50 53
pIC50 8.1 (IC50 7.6x10-9 M) [53]
Description: Inhibition of recombinant enzyme in vitro
MI-21 Small molecule or natural product SARS-CoV-2 Inhibition 8.1 pIC50 53
pIC50 8.1 (IC50 7.6x10-9 M) [53]
PF-00835231 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 8.1 pIC50 66
pIC50 8.1 (IC50 8x10-9 M) [66]
TG-0205221 Peptide Ligand has a PDB structure SARS-CoV-2 Inhibition 8.1 pIC50 66
pIC50 8.1 (IC50 9x10-9 M) [66]
MI-28 Small molecule or natural product SARS-CoV-2 Inhibition 8.0 pIC50 53
pIC50 8.0 (IC50 9.2x10-9 M) [53]
UAWJ248 Small molecule or natural product SARS-CoV-2 Inhibition 7.9 pIC50 56
pIC50 7.9 (IC50 1.2x10-8 M) [56]
MI-13 Small molecule or natural product SARS-CoV-2 Inhibition 7.9 pIC50 53
pIC50 7.9 (IC50 1.24x10-8 M) [53]
ensitrelvir Small molecule or natural product Approved drug Ligand has a PDB structure SARS-CoV-2 Inhibition 7.9 pIC50 64
pIC50 7.9 (IC50 1.3x10-8 M) [64]
MI-14 Small molecule or natural product SARS-CoV-2 Inhibition 7.9 pIC50 53
pIC50 7.9 (IC50 1.3x10-8 M) [53]
3CL protease (Mpro) inhibitor M3 Small molecule or natural product SARS-CoV-2 Inhibition 7.9 pIC50 27
pIC50 7.9 (IC50 1.3x10-8 M) [27]
MI-05 Small molecule or natural product SARS-CoV-2 Inhibition 7.9 pIC50 53
pIC50 7.9 (IC50 1.32x10-8 M) [53]
MI-11 Small molecule or natural product SARS-CoV-2 Inhibition 7.9 pIC50 53
pIC50 7.9 (IC50 1.33x10-8 M) [53]
compound 15m [PMID: 34242027] Small molecule or natural product SARS-CoV-2 Inhibition 7.8 pIC50 3
pIC50 7.8 (IC50 1.4x10-8 M) [3]
SY110 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.8 pIC50 33
pIC50 7.8 (IC50 1.44x10-8 M) [33]
MI-06 Small molecule or natural product SARS-CoV-2 Inhibition 7.8 pIC50 53
pIC50 7.8 (IC50 1.45x10-8 M) [53]
MI-09 Small molecule or natural product SARS-CoV-2 Inhibition 7.8 pIC50 53
pIC50 7.8 (IC50 1.52x10-8 M) [53]
Description: Inhibition of recombinant enzyme in vitro
NK01-63 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.8 pIC50 41
pIC50 7.8 (IC50 1.6x10-8 M) [41]
MI-30 Small molecule or natural product SARS-CoV-2 Inhibition 7.8 pIC50 53
pIC50 7.8 (IC50 1.72x10-8 M) [53]
Description: Inhibition of recombinant enzyme in vitro
compound 15l [PMID: 34242027] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.7 pIC50 3
pIC50 7.7 (IC50 1.9x10-8 M) [3]
Description: Inhibition of enzymatic activity in a FRET-based kinetic assay.
CCF981 Small molecule or natural product SARS-CoV Inhibition 7.7 pIC50 28
pIC50 7.7 (IC50 1.9x10-8 M) [28]
compound 21 [PMID: 33786375] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.7 pIC50 78
pIC50 7.7 (IC50 1.9x10-8 M) [78]
compound 58 [WO2021252491A1] Small molecule or natural product SARS-CoV-2 Inhibition >7.7 pIC50 65
pIC50 >7.7 (IC50 <2x10-8 M) [65]
GDI-036 Small molecule or natural product SARS-CoV-2 Inhibition 7.7 pIC50 42
pIC50 7.7 (IC50 2x10-8 M) [42]
MPI60 Small molecule or natural product SARS-CoV-2 Inhibition 7.7 pIC50 23
pIC50 7.7 (IC50 2.2x10-8 M) [23]
Description: Inhibition og Mpro in a biochemical enzyme activity assay
example 100 [WO2022043374] Small molecule or natural product SARS-CoV-2 Inhibition 7.6 pIC50 10
pIC50 7.6 (IC50 2.4x10-8 M) [10]
compound 23 [PMID: 33786375] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.6 pIC50 78
pIC50 7.6 (IC50 2.4x10-8 M) [78]
pomotrelvir Small molecule or natural product SARS-CoV-2 Inhibition 7.6 pIC50 62
pIC50 7.6 (IC50 2.4x10-8 M) [62]
nirmatrelvir Small molecule or natural product Approved drug Ligand has a PDB structure SARS-CoV-2 Inhibition 7.5 – 7.7 pIC50 43
pIC50 7.7 (IC50 1.9x10-8 M) Value provided at a session by Dafydd Owen (Pfizer) at the ACS Spring 2021 meeting; not yet published
pIC50 7.5 (IC50 3.3x10-8 M) [43]
bofutrelvir Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.3 – 7.8 pIC50 16,66
pIC50 7.8 (IC50 1.4x10-8 M) [66]
pIC50 7.3 (IC50 5.3x10-8 M) [16]
Description: In vitro inhibition of recombinant SARS-CoV-2 Mpro enzymatic activity.
compound 11b [PMID: 32321856] Small molecule or natural product SARS-CoV-2 Inhibition 7.4 – 7.6 pIC50 16,66
pIC50 7.6 (IC50 2.3x10-8 M) [66]
pIC50 7.4 (IC50 4x10-8 M) [16]
Description: In vitro inhibition of recombinant SARS-CoV-2 Mpro enzymatic activity.
GRL-0496 Small molecule or natural product SARS-CoV Inhibition 7.5 pIC50 24
pIC50 7.5 (IC50 3x10-8 M) [24]
example 100 [WO2022043374] Small molecule or natural product SARS-CoV Inhibition 7.5 pIC50 10
pIC50 7.5 (IC50 3.1x10-8 M) [10]
MP13 Small molecule or natural product SARS-CoV-2 Inhibition 7.5 pIC50 72
pIC50 7.5 (IC50 3.3x10-8 M) [72]
example 4 [WO2017114509] Small molecule or natural product SARS-CoV-2 Inhibition 7.5 pIC50 15
pIC50 7.5 (IC50 3.4x10-8 M) [15]
ML1000 Small molecule or natural product SARS-CoV-2 Inhibition 7.5 pIC50 69
pIC50 7.5 (IC50 3.4x10-8 M) [69]
MAT-POS-e194df51-1 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.4 pIC50 5
pIC50 7.4 (IC50 3.7x10-8 M) [5]
Description: Enzyme inhibition assay
compound 19 [PMID: 33786375] Small molecule or natural product SARS-CoV-2 Inhibition 7.4 pIC50 75
pIC50 7.4 (IC50 4.4x10-8 M) [75]
Description: Inhibition of Mpro proteolytic activity, determined using a substrate peptide cleavage FRET assay.
pomotrelvir Small molecule or natural product SARS-CoV Inhibition 7.3 pIC50 62
pIC50 7.3 (IC50 4.5x10-8 M) [62]
GC-376 Small molecule or natural product SARS-CoV Inhibition 7.3 – 7.4 pIC50 67,70
pIC50 7.4 (IC50 4.1x10-8 M) [70]
pIC50 7.3 (IC50 5x10-8 M) [67]
GRL-0496 Small molecule or natural product SARS-CoV-2 Inhibition 7.3 pIC50 52
pIC50 7.3 (IC50 5x10-8 M) [52]
compound 15c [PMID: 34865476] Small molecule or natural product MERS-CoV Inhibition 7.3 pIC50 19
pIC50 7.3 (IC50 5x10-8 M) [19]
UAWJ9-36-3 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.3 pIC50 70
pIC50 7.3 (IC50 5.4x10-8 M) [70]
WU-04 Small molecule or natural product Ligand has a PDB structure SARS-CoV Inhibition 7.3 pIC50 32
pIC50 7.3 (IC50 5.5x10-8 M) [32]
Description: inhibition of SARS-CoV Mpro
example 45 [WO2022229458] Small molecule or natural product SARS-CoV-2 Inhibition 7.2 pIC50 8
pIC50 7.2 (IC50 5.7x10-8 M) [8]
compound 17 [PMID: 34408808] Small molecule or natural product SARS-CoV-2 Inhibition 7.2 pIC50 77
pIC50 7.2 (IC50 5.9x10-8 M) [77]
INSCoV-614 (1B) Small molecule or natural product SARS-CoV-2 Inhibition 7.2 pIC50 74
pIC50 7.2 (IC50 6x10-8 M) [74]
compound 21 [PMID: 34408808] Small molecule or natural product SARS-CoV-2 Inhibition 7.2 pIC50 75
pIC50 7.2 (IC50 6.1x10-8 M) [75]
Description: Inhibition of Mpro proteolytic activity, determined using a substrate peptide cleavage FRET assay.
compound 16 [PMID: 34408808] Small molecule or natural product SARS-CoV-2 Inhibition 7.2 pIC50 77
pIC50 7.2 (IC50 6.1x10-8 M) [77]
compound 21 [PMID: 34347470] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.2 pIC50 28
pIC50 7.2 (IC50 6.3x10-8 M) [28]
compound 17 [PMID: 33655614] Small molecule or natural product SARS-CoV-2 Inhibition 7.2 pIC50 66
pIC50 7.2 (IC50 6.5x10-8 M) [66]
CCF981 Small molecule or natural product SARS-CoV-2 Inhibition 7.2 pIC50 28
pIC50 7.2 (IC50 6.8x10-8 M) [28]
GC-373 Peptide SARS-CoV Inhibition 7.2 pIC50 67
pIC50 7.2 (IC50 7x10-8 M) [67]
WU-04 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.1 pIC50 32
pIC50 7.1 (IC50 7.2x10-8 M) [32]
Description: enzyme inhibition
compound 15 [PMID: 34438124] Small molecule or natural product SARS-CoV-2 Inhibition 7.1 pIC50 14
pIC50 7.1 (IC50 7.2x10-8 M) [14]
compound 19 [PMID: 35142215] Small molecule or natural product SARS-CoV-2 Inhibition 7.1 pIC50 43
pIC50 7.1 (IC50 7.7x10-8 M) [43]
Description: Inhibtion of protease activity
PET-UNK-29afea89-2 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.1 pIC50 26
pIC50 7.1 (IC50 8x10-8 M) [26]
compound 2i [PMID: 23245752] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.0 pIC50 66
pIC50 7.0 (IC50 9.4x10-8 M) [66]
UAWJ9-36-3 Small molecule or natural product Ligand has a PDB structure SARS-CoV Inhibition 7.0 pIC50 70
pIC50 7.0 (IC50 9.9x10-8 M) [70]
compound 19 [PMID: 34347470] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.0 pIC50 28
pIC50 7.0 (IC50 1.06x10-7 M) [28]
compound 13 [PMID: 33984473] Small molecule or natural product SARS-CoV-2 Inhibition 7.0 pIC50 22
pIC50 7.0 (IC50 1.1x10-7 M) [22]
GC-376 Small molecule or natural product SARS-CoV-2 Inhibition 6.4 – 7.5 pIC50 20,43-44,67,70
pIC50 7.5 (IC50 3x10-8 M) [44]
pIC50 7.4 (IC50 4.1x10-8 M) [70]
pIC50 7.1 (IC50 7.3x10-8 M) [43]
pIC50 6.7 (IC50 1.9x10-7 M) [67]
pIC50 6.4 (IC50 4.1x10-7 M) [20]
GC-373 Peptide SARS-CoV-2 Inhibition 6.4 – 7.4 pIC50 66-67
pIC50 7.4 (IC50 4.2x10-8 M) [66]
pIC50 6.4 (IC50 4x10-7 M) [67]
compound 14 [PMID: 33786375] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 6.9 pIC50 78
pIC50 6.9 (IC50 1.29x10-7 M) [78]
compound 5 [Zhang et al., 2021] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 6.8 pIC50 76
pIC50 6.8 (IC50 1.4x10-7 M) [76]
compound 6e [PMID: 32747425] Small molecule or natural product SARS-CoV-2 Inhibition 6.8 pIC50 54
pIC50 6.8 (IC50 1.7x10-7 M) [54]
compound 15c [PMID: 34865476] Small molecule or natural product SARS-CoV-2 Inhibition 6.8 pIC50 19
pIC50 6.8 (IC50 1.7x10-7 M) [19]
compound 1 [PMID: 34210738] Small molecule or natural product SARS-CoV-2 Inhibition 6.8 pIC50 20
pIC50 6.8 (IC50 1.7x10-7 M) [20]
compound 40 [PMID: 34347470] Small molecule or natural product SARS-CoV-2 Inhibition 6.8 pIC50 28
pIC50 6.8 (IC50 1.71x10-7 M) [28]
compound 11r [PMID: 32045235] Small molecule or natural product SARS-CoV-2 Inhibition 6.7 pIC50 80
pIC50 6.7 (IC50 1.8x10-7 M) [80]
compound 2a [PMID: 34213885] Small molecule or natural product SARS-CoV-2 Inhibition 6.7 pIC50 17
pIC50 6.7 (IC50 1.8x10-7 M) [17]
Description: Determined in a FRET enzyme assay.
MAT-POS-932d1078-3 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 6.7 pIC50 61
pIC50 6.7 (IC50 1.91x10-7 M) [61]
MAT-POS-b3e365b9-1 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 6.7 pIC50 26
pIC50 6.7 (IC50 2x10-7 M) [26]
example I-1 [WO2023283831] Small molecule or natural product SARS-CoV-2 Inhibition >6.7 pIC50 57
pIC50 >6.7 (IC50 <2x10-7 M) [57]
compound 10c [PMID: 35638577] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 6.6 pIC50 18
pIC50 6.6 (IC50 2.4x10-7 M) [18]
walrycin B Small molecule or natural product SARS-CoV-2 Inhibition 6.6 pIC50 83
pIC50 6.6 (IC50 2.6x10-7 M) [83]
Description: Inhibition determined in an HTS fluorogenic enzyme activity assay.
compound 3 [PMID: 16884309] Peptide SARS-CoV-2 Inhibition 6.5 pIC50 66
pIC50 6.5 (IC50 2.86x10-7 M) [66]
compound 10c [PMID: 35638577] Small molecule or natural product Ligand has a PDB structure MERS-CoV Inhibition 6.5 pIC50 18
pIC50 6.5 (IC50 3.3x10-7 M) [18]
pomotrelvir Small molecule or natural product MERS-CoV Inhibition 6.4 pIC50 62
pIC50 6.4 (IC50 3.79x10-7 M) [62]
DAV-CRI-14a23e73-1 Small molecule or natural product SARS-CoV-2 Inhibition 6.3 pIC50 52
pIC50 6.3 (IC50 4.7x10-7 M) [52]
compound 6j [PMID: 32747425] Small molecule or natural product SARS-CoV-2 Inhibition 6.3 pIC50 54
pIC50 6.3 (IC50 4.8x10-7 M) [54]
compound 13b [PMID: 32198291] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 6.2 pIC50 80
pIC50 6.2 (IC50 6.7x10-7 M) [80]
compound 6e [PMID: 32747425] Small molecule or natural product SARS-CoV Inhibition 6.1 pIC50 54
pIC50 6.1 (IC50 9x10-7 M) [54]
WU-04 Small molecule or natural product Ligand has a PDB structure MERS-CoV Inhibition 6.0 pIC50
pIC50 6.0 (IC50 1.02x10-6 M)
Description: inhibition of MERS-CoV Mpro
compound 6j [PMID: 32747425] Small molecule or natural product SARS-CoV Inhibition 5.9 pIC50 54
pIC50 5.9 (IC50 1.2x10-6 M) [54]
boceprevir Small molecule or natural product Approved drug SARS-CoV Inhibition 5.6 – 6.0 pIC50 1,4
pIC50 5.6 – 6.0 (IC50 2.5x10-6 – 9.49x10-7 M) [1,4]
compound 2i [PMID: 23245752] Small molecule or natural product Ligand has a PDB structure SARS-CoV Inhibition 5.8 pIC50 36
pIC50 5.8 (IC50 1.7x10-6 M) [36]
MG-132 Peptide Ligand has a PDB structure SARS-CoV-2 Inhibition 5.4 pIC50 44
pIC50 5.4 (IC50 3.9x10-6 M) [44]
boceprevir Small molecule or natural product Approved drug SARS-CoV-2 Inhibition 5.4 pIC50 44
pIC50 5.4 (IC50 4.13x10-6 M) [44]
ML300 Small molecule or natural product Ligand has a PDB structure SARS-CoV Inhibition 5.3 – 5.4 pIC50 28,63
pIC50 5.4 (IC50 4.1x10-6 M) [63]
pIC50 5.3 (IC50 4.45x10-6 M) [28]
compound 451 [WO2021252644A1] Small molecule or natural product SARS-CoV-2 Inhibition 5.0 – 5.7 pIC50 2
pIC50 5.0 – 5.7 (IC50 1x10-5 – 2x10-6 M) [2]
Description: In vitro inhibition of Mpro; binned IC50 value
ML300 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 5.3 pIC50 28
pIC50 5.3 (IC50 4.99x10-6 M) [28]
MG-115 Peptide SARS-CoV-2 Inhibition 5.2 pIC50 44
pIC50 5.2 (IC50 6.14x10-6 M) [44]
PRD_002214 Small molecule or natural product SARS-CoV Inhibition 5.1 pIC50 71
pIC50 5.1 (IC50 9x10-6 M) [71]
calpeptin Peptide SARS-CoV-2 Inhibition 5.0 pIC50 44
pIC50 5.0 (IC50 1.069x10-5 M) [44]