Top ▲

CoV 3C-like (main) protease

Click here for help

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 [42]. 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:  24
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:  92
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:  42
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:  21
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:  16
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:  84
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:  39
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:  63
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:  28
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:  81
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:  93
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:  4
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:  41
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:  69
EC number (SARS-CoV-2)
3.4.22.69

Download all structure-activity data for this target as a CSV file go icon to follow link

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 40
pKd 7.4 (Kd 3.7x10-8 M) [40]
Description: binding to SARS-CoV-2 Mpro
compound 19 [PMID: 35142215] Small molecule or natural product SARS-CoV-2 Inhibition 7.4 pKd 51
pKd 7.4 (Kd 3.8x10-8 M) [51]
Description: Binding affinity
nirmatrelvir Small molecule or natural product Approved drug Ligand has a PDB structure SARS-CoV-2 Inhibition 9.6 pKi 57
pKi 9.6 (Ki 2.71x10-10 M) [57]
Description: Determined in vitro, in a TR-FRET enzyme assay
pomotrelvir Small molecule or natural product SARS-CoV-2 Inhibition 8.6 pKi 73
pKi 8.6 (Ki 2.7x10-9 M) [73]
ibuzatrelvir Small molecule or natural product SARS-CoV-2 Inhibition 8.5 pKi 59
pKi 8.5 (Ki 3x10-9 M) [59]
PF-00835231 Small molecule or natural product Ligand has a PDB structure SARS-CoV Inhibition 8.4 pKi 39
pKi 8.4 (Ki 4x10-9 M) [39]
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 70
pKi 8.2 (Ki 6.3x10-9 M) [70]
example 10 [WO2022129953] Small molecule or natural product SARS-CoV-2 Inhibition 8.2 pKi 17
pKi 8.2 (Ki 6.3x10-9 M) [17]
leritrelvir Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 8.1 pKi 14
pKi 8.1 (Ki 8.4x10-9 M) [14]
compound 17 [PMID: 33655614] Small molecule or natural product SARS-CoV-2 Inhibition 8.0 pKi 8
pKi 8.0 (Ki 1x10-8 M) [8]
compound 8 [PMID: 33655614] Small molecule or natural product SARS-CoV-2 Inhibition 7.6 pKi 8
pKi 7.6 (Ki 2.4x10-8 M) [8]
YH-53 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.5 – 7.8 pKi 33,37,43
pKi 7.8 (Ki 1.76x10-8 M) [33,37]
pKi 7.5 (Ki 3.47x10-8 M) [43]
CDD-1976 Small molecule or natural product SARS-CoV-2 Inhibition 7.4 pKi 12
pKi 7.4 (Ki 3.7x10-8 M) [12]
TG-0205221 Peptide Ligand has a PDB structure SARS-CoV Inhibition 7.3 pKi 84
pKi 7.3 (Ki 5.3x10-8 M) [84]
TG-0203770 Small molecule or natural product Ligand has a PDB structure SARS-CoV Inhibition 7.2 pKi 46
pKi 7.2 (Ki 5.8x10-8 M) [46]
compound 7d [PMID: 34528437] Small molecule or natural product SARS-CoV-2 Inhibition 7.1 pKi 33
pKi 7.1 (Ki 7.3x10-8 M) [33]
Jun10541R Small molecule or natural product SARS-CoV-2 Inhibition 6.5 pKi 69
pKi 6.5 (Ki 3.453x10-7 M) [69]
compound 3 [PMID: 16884309] Peptide SARS-CoV Inhibition 6.2 pKi 84
pKi 6.2 (Ki 6.6x10-7 M) [84]
boceprevir Small molecule or natural product Approved drug SARS-CoV-2 Inhibition 5.9 pKi 52
pKi 5.9 (Ki 1.18x10-6 M) [52]
Description: Inhibition of recombinat enzyme in vitro.
Z-AVLD-FMK Peptide SARS-CoV-2 Inhibition 9.1 pIC50 54
pIC50 9.1 (IC50 8x10-10 M) [54]
Description: Inhibition in a FRET-based enzyme activity assay
compound 6 [WO2022133588] Small molecule or natural product SARS-CoV-2 Inhibition 9.0 pIC50 56
pIC50 9.0 (IC50 1x10-9 M) [56]
example 18 [WO2022013684] Small molecule or natural product SARS-CoV-2 Inhibition 8.8 pIC50 58
pIC50 8.8 (IC50 1.55x10-9 M) [58]
compound 84 [PMID: 38753594] Small molecule or natural product SARS-CoV-2 Inhibition 8.5 pIC50 9
pIC50 8.5 (IC50 3.23x10-9 M) [9]
YH-6 Small molecule or natural product SARS-CoV-2 Inhibition 8.4 pIC50 38
pIC50 8.4 (IC50 3.8x10-9 M) [38]
compound 15g {PMID: 34242027] Small molecule or natural product SARS-CoV-2 Inhibition 8.2 pIC50 4
pIC50 8.2 (IC50 6.4x10-9 M) [4]
compound 17 [PMID: 33655614] Small molecule or natural product SARS-CoV Inhibition 8.1 pIC50 7
pIC50 8.1 (IC50 7x10-9 M) [7]
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 55
pIC50 8.1 (IC50 7x10-9 M) [55]
Description: inhibition of enzyme activity
MI-23 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 8.1 pIC50 63
pIC50 8.1 (IC50 7.6x10-9 M) [63]
Description: Inhibition of recombinant enzyme in vitro
MI-21 Small molecule or natural product SARS-CoV-2 Inhibition 8.1 pIC50 63
pIC50 8.1 (IC50 7.6x10-9 M) [63]
PF-00835231 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 8.1 pIC50 77
pIC50 8.1 (IC50 8x10-9 M) [77]
MK-7845 Small molecule or natural product SARS-CoV-2 Inhibition 8.1 pIC50 68
pIC50 8.1 (IC50 8.7x10-9 M) [68]
TG-0205221 Peptide Ligand has a PDB structure SARS-CoV-2 Inhibition 8.1 pIC50 77
pIC50 8.1 (IC50 9x10-9 M) [77]
MI-28 Small molecule or natural product SARS-CoV-2 Inhibition 8.0 pIC50 63
pIC50 8.0 (IC50 9.2x10-9 M) [63]
UAWJ248 Small molecule or natural product SARS-CoV-2 Inhibition 7.9 pIC50 66
pIC50 7.9 (IC50 1.2x10-8 M) [66]
MI-13 Small molecule or natural product SARS-CoV-2 Inhibition 7.9 pIC50 63
pIC50 7.9 (IC50 1.24x10-8 M) [63]
ensitrelvir Small molecule or natural product Approved drug Ligand has a PDB structure SARS-CoV-2 Inhibition 7.9 pIC50 75
pIC50 7.9 (IC50 1.3x10-8 M) [75]
MI-14 Small molecule or natural product SARS-CoV-2 Inhibition 7.9 pIC50 63
pIC50 7.9 (IC50 1.3x10-8 M) [63]
3CL protease (Mpro) inhibitor M3 Small molecule or natural product SARS-CoV-2 Inhibition 7.9 pIC50 35
pIC50 7.9 (IC50 1.3x10-8 M) [35]
MI-05 Small molecule or natural product SARS-CoV-2 Inhibition 7.9 pIC50 63
pIC50 7.9 (IC50 1.32x10-8 M) [63]
MI-11 Small molecule or natural product SARS-CoV-2 Inhibition 7.9 pIC50 63
pIC50 7.9 (IC50 1.33x10-8 M) [63]
compound 15m [PMID: 34242027] Small molecule or natural product SARS-CoV-2 Inhibition 7.8 pIC50 4
pIC50 7.8 (IC50 1.4x10-8 M) [4]
SY110 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.8 pIC50 41
pIC50 7.8 (IC50 1.44x10-8 M) [41]
MI-06 Small molecule or natural product SARS-CoV-2 Inhibition 7.8 pIC50 63
pIC50 7.8 (IC50 1.45x10-8 M) [63]
MI-09 Small molecule or natural product SARS-CoV-2 Inhibition 7.8 pIC50 63
pIC50 7.8 (IC50 1.52x10-8 M) [63]
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 49
pIC50 7.8 (IC50 1.6x10-8 M) [49]
MI-30 Small molecule or natural product SARS-CoV-2 Inhibition 7.8 pIC50 63
pIC50 7.8 (IC50 1.72x10-8 M) [63]
Description: Inhibition of recombinant enzyme in vitro
compound 3d [PMID: 38953866] Small molecule or natural product MERS-CoV Inhibition 7.7 pIC50 23
pIC50 7.7 (IC50 1.8x10-8 M) [23]
compound 15l [PMID: 34242027] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.7 pIC50 4
pIC50 7.7 (IC50 1.9x10-8 M) [4]
Description: Inhibition of enzymatic activity in a FRET-based kinetic assay.
CCF981 Small molecule or natural product Ligand has a PDB structure SARS-CoV Inhibition 7.7 pIC50 36
pIC50 7.7 (IC50 1.9x10-8 M) [36]
compound 21 [PMID: 33786375] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.7 pIC50 89
pIC50 7.7 (IC50 1.9x10-8 M) [89]
compound 58 [WO2021252491A1] Small molecule or natural product SARS-CoV-2 Inhibition >7.7 pIC50 76
pIC50 >7.7 (IC50 <2x10-8 M) [76]
GDI-036 Small molecule or natural product SARS-CoV-2 Inhibition 7.7 pIC50 50
pIC50 7.7 (IC50 2x10-8 M) [50]
MPI60 Small molecule or natural product SARS-CoV-2 Inhibition 7.7 pIC50 31
pIC50 7.7 (IC50 2.2x10-8 M) [31]
Description: Inhibition og Mpro in a biochemical enzyme activity assay
CMX990 Small molecule or natural product SARS-CoV-2 Inhibition 7.6 pIC50 27
pIC50 7.6 (IC50 2.34x10-8 M) [27]
example 100 [WO2022043374] Small molecule or natural product SARS-CoV-2 Inhibition 7.6 pIC50 13
pIC50 7.6 (IC50 2.4x10-8 M) [13]
compound 23 [PMID: 33786375] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.6 pIC50 89
pIC50 7.6 (IC50 2.4x10-8 M) [89]
pomotrelvir Small molecule or natural product SARS-CoV-2 Inhibition 7.6 pIC50 73
pIC50 7.6 (IC50 2.4x10-8 M) [73]
nirmatrelvir Small molecule or natural product Approved drug Ligand has a PDB structure SARS-CoV-2 Inhibition 7.5 – 7.7 pIC50 51
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) [51]
bofutrelvir Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.3 – 7.8 pIC50 21,77
pIC50 7.8 (IC50 1.4x10-8 M) [77]
pIC50 7.3 (IC50 5.3x10-8 M) [21]
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 21,77
pIC50 7.6 (IC50 2.3x10-8 M) [77]
pIC50 7.4 (IC50 4x10-8 M) [21]
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 32
pIC50 7.5 (IC50 3x10-8 M) [32]
example 100 [WO2022043374] Small molecule or natural product SARS-CoV Inhibition 7.5 pIC50 13
pIC50 7.5 (IC50 3.1x10-8 M) [13]
MP13 Small molecule or natural product SARS-CoV-2 Inhibition 7.5 pIC50 83
pIC50 7.5 (IC50 3.3x10-8 M) [83]
example 4 [WO2017114509] Small molecule or natural product SARS-CoV-2 Inhibition 7.5 pIC50 20
pIC50 7.5 (IC50 3.4x10-8 M) [20]
ML1000 Small molecule or natural product SARS-CoV-2 Inhibition 7.5 pIC50 80
pIC50 7.5 (IC50 3.4x10-8 M) [80]
MAT-POS-e194df51-1 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.4 pIC50 6
pIC50 7.4 (IC50 3.7x10-8 M) [6]
Description: Enzyme inhibition assay
MPD2 Small molecule or natural product SARS-CoV-2 Inhibition 7.4 pIC50 1
pIC50 7.4 (IC50 4.1x10-8 M) [1]
Description: Inhibition of SARS-CoV-2 MPro catalytic activity in a biochemical assay.
compound 19 [PMID: 33786375] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.4 pIC50 86
pIC50 7.4 (IC50 4.4x10-8 M) [86]
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 73
pIC50 7.3 (IC50 4.5x10-8 M) [73]
GC-376 Small molecule or natural product SARS-CoV Inhibition 7.3 – 7.4 pIC50 78,81
pIC50 7.4 (IC50 4.1x10-8 M) [81]
pIC50 7.3 (IC50 5x10-8 M) [78]
GRL-0496 Small molecule or natural product SARS-CoV-2 Inhibition 7.3 pIC50 61
pIC50 7.3 (IC50 5x10-8 M) [61]
compound 15c [PMID: 34865476] Small molecule or natural product MERS-CoV Inhibition 7.3 pIC50 25
pIC50 7.3 (IC50 5x10-8 M) [25]
UAWJ9-36-3 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.3 pIC50 81
pIC50 7.3 (IC50 5.4x10-8 M) [81]
WU-04 Small molecule or natural product Ligand has a PDB structure SARS-CoV Inhibition 7.3 pIC50 40
pIC50 7.3 (IC50 5.5x10-8 M) [40]
Description: inhibition of SARS-CoV Mpro
example 45 [WO2022229458] Small molecule or natural product SARS-CoV-2 Inhibition 7.2 pIC50 10
pIC50 7.2 (IC50 5.7x10-8 M) [10]
compound 17 [PMID: 34408808] Small molecule or natural product SARS-CoV-2 Inhibition 7.2 pIC50 88
pIC50 7.2 (IC50 5.9x10-8 M) [88]
INSCoV-614 (1B) Small molecule or natural product SARS-CoV-2 Inhibition 7.2 pIC50 85
pIC50 7.2 (IC50 6x10-8 M) [85]
compound 21 [PMID: 34408808] Small molecule or natural product SARS-CoV-2 Inhibition 7.2 pIC50 86
pIC50 7.2 (IC50 6.1x10-8 M) [86]
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 88
pIC50 7.2 (IC50 6.1x10-8 M) [88]
compound 21 [PMID: 34347470] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.2 pIC50 36
pIC50 7.2 (IC50 6.3x10-8 M) [36]
compound 17 [PMID: 33655614] Small molecule or natural product SARS-CoV-2 Inhibition 7.2 pIC50 77
pIC50 7.2 (IC50 6.5x10-8 M) [77]
CCF981 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.2 pIC50 36
pIC50 7.2 (IC50 6.8x10-8 M) [36]
GC-373 Peptide SARS-CoV Inhibition 7.2 pIC50 78
pIC50 7.2 (IC50 7x10-8 M) [78]
WU-04 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.1 pIC50 40
pIC50 7.1 (IC50 7.2x10-8 M) [40]
Description: enzyme inhibition
compound 15 [PMID: 34438124] Small molecule or natural product SARS-CoV-2 Inhibition 7.1 pIC50 19
pIC50 7.1 (IC50 7.2x10-8 M) [19]
compound 19 [PMID: 35142215] Small molecule or natural product SARS-CoV-2 Inhibition 7.1 pIC50 51
pIC50 7.1 (IC50 7.7x10-8 M) [51]
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 34
pIC50 7.1 (IC50 8x10-8 M) [34]
compound 2i [PMID: 23245752] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.0 pIC50 77
pIC50 7.0 (IC50 9.4x10-8 M) [77]
UAWJ9-36-3 Small molecule or natural product Ligand has a PDB structure SARS-CoV Inhibition 7.0 pIC50 81
pIC50 7.0 (IC50 9.9x10-8 M) [81]
compound 3d [PMID: 38953866] Small molecule or natural product SARS-CoV-2 Inhibition 7.0 pIC50 23
pIC50 7.0 (IC50 1x10-7 M) [23]
compound 19 [PMID: 34347470] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 7.0 pIC50 36
pIC50 7.0 (IC50 1.06x10-7 M) [36]
compound 13 [PMID: 33984473] Small molecule or natural product SARS-CoV-2 Inhibition 7.0 pIC50 29
pIC50 7.0 (IC50 1.1x10-7 M) [29]
compound 2c [PMID: 38953866] Small molecule or natural product SARS-CoV-2 Inhibition 7.0 pIC50 23
pIC50 7.0 (IC50 1.1x10-7 M) [23]
GC-376 Small molecule or natural product SARS-CoV-2 Inhibition 6.4 – 7.5 pIC50 26,51-52,78,81
pIC50 7.5 (IC50 3x10-8 M) [52]
pIC50 7.4 (IC50 4.1x10-8 M) [81]
pIC50 7.1 (IC50 7.3x10-8 M) [51]
pIC50 6.7 (IC50 1.9x10-7 M) [78]
pIC50 6.4 (IC50 4.1x10-7 M) [26]
Mpro inhibitor 13b Small molecule or natural product SARS-CoV-2 Inhibition 6.9 pIC50 18
pIC50 6.9 (IC50 1.2x10-7 M) [18]
GC-373 Peptide SARS-CoV-2 Inhibition 6.4 – 7.4 pIC50 77-78
pIC50 7.4 (IC50 4.2x10-8 M) [77]
pIC50 6.4 (IC50 4x10-7 M) [78]
compound 14 [PMID: 33786375] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 6.9 pIC50 89
pIC50 6.9 (IC50 1.29x10-7 M) [89]
compound 5 [Zhang et al., 2021] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 6.8 pIC50 87
pIC50 6.8 (IC50 1.4x10-7 M) [87]
compound 6e [PMID: 32747425] Small molecule or natural product SARS-CoV-2 Inhibition 6.8 pIC50 64
pIC50 6.8 (IC50 1.7x10-7 M) [64]
compound 15c [PMID: 34865476] Small molecule or natural product SARS-CoV-2 Inhibition 6.8 pIC50 25
pIC50 6.8 (IC50 1.7x10-7 M) [25]
compound 1 [PMID: 34210738] Small molecule or natural product SARS-CoV-2 Inhibition 6.8 pIC50 26
pIC50 6.8 (IC50 1.7x10-7 M) [26]
compound 40 [PMID: 34347470] Small molecule or natural product SARS-CoV-2 Inhibition 6.8 pIC50 36
pIC50 6.8 (IC50 1.71x10-7 M) [36]
compound 11r [PMID: 32045235] Small molecule or natural product SARS-CoV-2 Inhibition 6.7 pIC50 91
pIC50 6.7 (IC50 1.8x10-7 M) [91]
compound 2a [PMID: 34213885] Small molecule or natural product SARS-CoV-2 Inhibition 6.7 pIC50 22
pIC50 6.7 (IC50 1.8x10-7 M) [22]
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 72
pIC50 6.7 (IC50 1.91x10-7 M) [72]
MAT-POS-b3e365b9-1 Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 6.7 pIC50 34
pIC50 6.7 (IC50 2x10-7 M) [34]
example I-1 [WO2023283831] Small molecule or natural product SARS-CoV-2 Inhibition >6.7 pIC50 67
pIC50 >6.7 (IC50 <2x10-7 M) [67]
compound 10c [PMID: 35638577] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 6.6 pIC50 24
pIC50 6.6 (IC50 2.4x10-7 M) [24]
walrycin B Small molecule or natural product SARS-CoV-2 Inhibition 6.6 pIC50 94
pIC50 6.6 (IC50 2.6x10-7 M) [94]
Description: Inhibition determined in an HTS fluorogenic enzyme activity assay.
compound 3 [PMID: 16884309] Peptide SARS-CoV-2 Inhibition 6.5 pIC50 77
pIC50 6.5 (IC50 2.86x10-7 M) [77]
compound 10c [PMID: 35638577] Small molecule or natural product Ligand has a PDB structure MERS-CoV Inhibition 6.5 pIC50 24
pIC50 6.5 (IC50 3.3x10-7 M) [24]
pomotrelvir Small molecule or natural product MERS-CoV Inhibition 6.4 pIC50 73
pIC50 6.4 (IC50 3.79x10-7 M) [73]
compound 2c [PMID: 38953866] Small molecule or natural product MERS-CoV Inhibition 6.4 pIC50 23
pIC50 6.4 (IC50 4.3x10-7 M) [23]
DAV-CRI-14a23e73-1 Small molecule or natural product SARS-CoV-2 Inhibition 6.3 pIC50 61
pIC50 6.3 (IC50 4.7x10-7 M) [61]
compound 6j [PMID: 32747425] Small molecule or natural product SARS-CoV-2 Inhibition 6.3 pIC50 64
pIC50 6.3 (IC50 4.8x10-7 M) [64]
withaferin A Small molecule or natural product SARS-CoV-2 Inhibition 6.3 pIC50 11
pIC50 6.3 (IC50 5.4x10-7 M) [11]
compound 13b [PMID: 32198291] Small molecule or natural product Ligand has a PDB structure SARS-CoV-2 Inhibition 6.2 pIC50 91
pIC50 6.2 (IC50 6.7x10-7 M) [91]
compound 6e [PMID: 32747425] Small molecule or natural product SARS-CoV Inhibition 6.1 pIC50 64
pIC50 6.1 (IC50 9x10-7 M) [64]
WU-04 Small molecule or natural product Ligand has a PDB structure