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Compound Libraries Anti-COVID-19 Compound Library

Anti-COVID-19 Compound Library

Catalog No. L1710
  Library Compound List   Excel SDF

In response to the outbreak of COVID-19 caused by a novel coronavirus SARS-CoV-2, global scientific research institutions and pharmaceutical companies are stepping up related vaccine development and antiviral drug trials. Scientists from multiple countries are working hard to identify drug candidates that can be used for clinical therapy to patients with COVID-19 by screening compound libraries. TargetMol as a drug screening expert quickly generated this compound library to support the research and development of anti-COVID-19 drugs.

This compound library includes Part1 and Part2. Part1 contains compounds that have been demonstrated to have anti-coronavirus activity or are broad-spectrum antiviral agents including Remdesivir, Lopinavir/Ritonavir, Chloroquine diphosphate (combination use with Remdesivir), Polydatin (bind with Mpro), etc. Part2 collects compounds from virtual screening hits based on molecular docking. These compounds with high-affinity to 7 SARS-CoV-2 protein targets (RBD of Spike protein, viral papain like protease (PLpro), main protease (3CLpro, also named 3-chymotrypsin-like protease), RNA-dependent RNA polymerase (RdRp), nsp16 (2′-O-methyltransferase, helicase), nsp15, and X-domain.) and 1 human ACE2 have the potential to provide more drug candidates for molecular and cellular antiviral activity assays.

As a world-renowned supplier of small molecular compounds, TargetMol immediately after the outbreak of COVID-19 performed a Swiss-Model Homology Modelling process to generate reliable protein models or 3D protein structures of these related drug targets. Then structure-based virtual screening was performed against TargetMol libraries (7729 compounds) and Bioactive compound library (7647 compounds) by using Surflex-Dock in the Sybyl-X 2.0 package. About 2000 hits having anti-COVID-19 CADD activity from virtual screening formed Part2 of this compound library. We wish these compounds would speed up the development of COVID-19 targeted drugs. We also will keep updating it in response to the newest research progress.

Pack Size Price/USD
100 μL * 10 mM (in DMSO) 23990.00
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Product Description

  • A unique collection of 2448 compounds with confirmed anti-SARS-CoV-2 activity or potential activity and part of them are broad-spectrum antiviral agents;
  • Compounds contain Remdesivir, Lopinavir/Ritonavir, Chloroquine diphosphate (combination use with Remdesivir), Polydatin (bind with Mpro), etc.;
  • Detailed compound information with structure, target, and biological activity description;
  • NMR and HPLC/LCMS validated to ensure high purity and quality.

Library Customization

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Packaging And Storage

  • Powder or pre-dissolved DMSO solutions in 96/384 well plate with optional 2D barcode
  • Shipped with blue ice
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Library Composition

Nonstructural protein 1 (131)
HEK293 (86)
Prelamin-A/C (77)
Beta-lactamase AmpC (77)
Cellular tumor antigen p53 (74)
Microtubule-associated protein tau (66)
Mothers against decapentaplegic homolog 3 (63)
Plasmodium falciparum (55)
Thyroid hormone receptor beta-1 (54)
Nuclear factor erythroid 2-related factor 2 (52)
DNA/RNA Synthesis (51)
HIV Protease (46)
Glucagon-like peptide 1 receptor (40)
Adrenergic Receptor (36)
HCV Protease (32)
Histone Methyltransferase (31)
TAR DNA-binding protein 43 (31)
Geminin (30)
Antibacterial (28)
Ataxin-2 (28)
Endogenous Metabolite (27)
Ataxin (25)
Guanine nucleotide-binding protein G(s), subunit alpha (25)
5-HT Receptor (24)
AChR (23)
Antioxidant (23)
Autophagy (22)
RAAS (22)
Nuclear receptor ROR-gamma (21)
Dopamine Receptor (21)
Calcium Channel (20)
Antibiotic (20)
Potassium Channel (20)
Antiviral (19)
Aberrant vpr protein (19)
VEGFR (19)
Dehydrogenase (17)
COX (17)
Glycoprotein hormones alpha chain (17)
Reverse Transcriptase (17)
PI3K (17)
Histamine Receptor (17)
Histone Acetyltransferase (16)
Epigenetic Reader Domain (16)
c-Kit (16)
ATPase family AAA domain-containing protein 5 (16)
ATP-dependent Clp protease proteolytic subunit (14)
Antifection (14)
FK506 binding protein 12 (14)
P450 (14)
Influenza Virus (13)
Inositol monophosphatase 1 (13)
CCR (13)
EGFR (12)
PDE (12)
Prostaglandin Receptor (12)
Topoisomerase (12)
Sodium Channel (11)
ribosome (11)
NF-κB (11)
HBV (11)
FLT (11)
ERK (11)
DNA polymerase iota (10)
CDK (10)
HDAC (10)
PDGFR (10)
PKC (10)
Src (10)
Survival motor neuron protein (9)
HSV (9)
mTOR (9)
Aldehyde dehydrogenase 1A1 (9)
Bcr-Abl (8)
microRNA 21 (8)
JAK (8)
Huntingtin (8)
PPAR (8)
TLR (8)
TNF (8)
Vitamin (8)
Tyrosine Kinases (7)
Proteasome (7)
Raf (7)
Integrin (7)
AMPK (7)
Akt (6)
BCL (6)
ATPase (6)
c-Met/HGFR (6)
c-RET (6)
Estrogen/progestogen Receptor (6)
FGFR (6)
Ras-related protein Rab-9A (6)
STAT (6)
TAM Receptor (6)
Thrombin (5)
Short transient receptor potential channel 4 (5)
Opioid Receptor (5)
Parasite (5)
Niemann-Pick C1 protein (5)
P2 Receptor (5)
Human immunodeficiency virus 1 (5)
HMG-CoA Reductase (5)
NADPH (5)
GABA Receptor (5)
Glucocorticoid Receptor (5)
Glucokinase (5)
Caspase (5)
DHFR (5)
Adenosine Receptor (5)
Antifungal (5)
Androgen Receptor (4)
Carbonic Anhydrase (4)
DNA dC->dU-editing enzyme APOBEC-3F (4)
Cruzipain (4)
Cysteine Protease (4)
GSK-3 (4)
MRP (4)
MEK (4)
MMP (4)
MAO (4)
HSP (4)
NMDAR (4)
Phospholipase (4)
Reductase (4)
Thioredoxin glutathione reductase (4)
Sirtuin (4)
Transferase (4)
Tyrosinase (4)
Wnt/beta-catenin (3)
TGF-beta/Smad (3)
Phosphatase (3)
Rho (3)
Serine Protease (3)
ROS (3)
S1P Receptor (3)
PKM (3)
PKA (3)
PAI-1 (3)
Norepinephrine (3)
NOS (3)
OX Receptor (3)
Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (3)
IL Receptor (3)
HER (3)
lysosomal autophagy (3)
Luciferin 4-monooxygenase (3)
Menin/Histone-lysine N-methyltransferase MLL (3)
Microtubule Associated (3)
GPR (3)
GR (3)
GluCls (3)
Gamma-secretase (3)
Ferroptosis (3)
CXCR (3)
DNA Alkylation (3)
DNA-PK (3)
BTK (3)
Beta-glucocerebrosidase (3)
Anthrax lethal factor (3)
Apoptosis (3)
ATM/ATR (3)
Alpha-synuclein (3)
Amino Acids and Derivatives (2)
Acetyl-CoA Carboxylase (2)
ABC (2)
Aromatase (2)
Apoptosis inducer (2)
Aurora Kinase (2)
ATP-dependent DNA helicase Q1 (2)
Casein Kinase (2)
CaMK (2)
DPP-4 (2)
DNA Methyltransferase (2)
DNA polymerase eta (2)
CSF-1R (2)
Chk (2)
Fatty Acid Synthase (2)
Gap Junction Protein (2)
Glutaminase kidney isoform, mitochondrial (2)
Glutathione reductase (2)
Lysosomal alpha-glucosidase (2)
LDL (2)
IκB/IKK (2)
JNK (2)
Kinesin (2)
Lipase (2)
HIF (2)
HepG2 (2)
Histone acetyltransferase GCN5 (2)
Hydroxylase (2)
IGF-1R (2)
Neuropeptide S receptor (2)
Nucleoside Antimetabolite/Analog (2)
P-gp (2)
PARP (2)
PD-1/PD-L1 (2)
p38 MAPK (2)
p53 (2)
PDK (2)
Platelet aggregation (2)
PLK (2)
Proton pump (2)
S6 Kinase (2)
SARS-CoV (2)
Retinoid Receptor (2)
Telomerase (2)
SGLT (2)
Trk receptor (2)
Thyroid stimulating hormone receptor (2)
Tie-2 (1)
Thyroid hormone receptor(THR) (1)
TRP/TRPV Channel (1)
Tyrosyl-DNA phosphodiesterase 1 (1)
UGT (1)
Vaccinia virus (1)
Vasopressin Receptor (1)
VDA (1)
Vesicular stomatitis virus (1)
Virus Protease (1)
Survivin (1)
Syk (1)
Stearoyl-CoA Desaturase (SCD) (1)
Stemness kinase (1)
TGF-beta receptor type II (1)
Thioredoxin (1)
Thioredoxin reductase 1, cytoplasmic (1)
Zinc finger protein GLI1 (1)
Voltage-gated T-type calcium channel alpha-1H subunit (1)
Relaxin receptor 1 (1)
ROR (1)
Serine/threonin kinase (1)
Serotonin 6 (5-HT6) receptor (1)
Sigma receptor (1)
Sigma-1 receptor (1)
Protease-activated Receptor (1)
RAR/RXR (1)
Ras (1)
Prostaglandin E synthase (1)
PED (1)
Peripheral-type benzodiazepine receptor (1)
Phosphorylase (1)
Nucleic Acid (1)
P2X Receptor (1)
NPC1L1 (1)
Nrf2 (1)
NOD-like Receptor (NLR) (1)
Human herpesvirus 1 strain KOS (1)
Intestinal alkaline phosphatase (1)
INS1 (1)
Integrase (1)
HIF/HIF Prolyl-Hydroxylase (1)
High-affinity choline transporter (1)
Hepatitis C virus NS3 protease/helicase (1)
Hck (1)
Guanylate cyclase (1)
Lipid (1)
Lipoxygenase (1)
LPA Receptor (1)
LTR (1)
Large T antigen (1)
Kappa opioid receptor (1)
MAPK (1)
Mdm2 (1)
Lethal(3)malignant brain tumor-like protein 1 (1)
LHRH (1)
MNK (1)
Mitophagy (1)
MLK (1)
MT Receptor (1)
MPO (1)
NADPH-oxidase (1)
NAMPT (1)
Neprilysin (1)
GluR (1)
Glutaminase (1)
GST (1)
GTPase (1)
GNRH Receptor (1)
gp120/CD4 (1)
GPCR19 (1)
Genome polyprotein (1)
GHSR (1)
Fructose-bisphosphate aldolase (1)
FXR (1)
Epstein-Barr nuclear antigen 1 (1)
FAAH (1)
FAD-linked sulfhydryl oxidase ALR (1)
FAK (1)
Fas/FasL (1)
Chloride channel (1)
CaSR (1)
C-C chemokine receptor type 5 (1)
CPT (1)
CRM1 (1)
Cytochrome P450 19A1 (1)
Cytochrome P450 1A2 (1)
Decarboxylase (1)
DNA dC->dU-editing enzyme APOBEC-3G (1)
DNA gyrase (1)
Discoidin Domain Receptor (DDR) (1)
E1/E2/E3 Enzyme (1)
Endothelin Receptor (1)
cAMP (1)
Cannabinoid CB1 receptor (1)
Cannabinoid Receptor (1)
BVDV (1)
cell cycle arrest (1)
Cell wall (1)
CETP (1)
c-Fms (1)
CFTR (1)
ATP-dependent molecular chaperone HSP82 (1)
Beta-2 adrenergic receptor (1)
Bombesin Receptor (1)
Bradykinin Receptor (1)
Breast cancer type 1 susceptibility protein (1)
Bromodomain adjacent to zinc finger domain protein 2B (1)
Arachidonate 15-lipoxygenase (1)
Arginase (1)
ASK (1)
ATP Citrate Lyase (1)
Annexin A (1)
Antifolate (1)
15-hydroxyprostaglandin dehydrogenase [NAD+] (1)
3C-like protease (1)
ACK (1)
Aminopeptidase (1)
ALK (1)
Alpha-galactosidase A (1)
AhR (1)