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3CLpro-Targeted Compound Library (CADD)

Catalog No. L1712
  Library Compound List   Excel SDF

The 3CLpro (Mpro), also known as Nsp5, is first automatically cleaved from poly-proteins to produce mature enzymes, and then further cleaves downstream Nsps at 11 sites to release Nsp4–Nsp1631. 3CLpro directly mediates the maturation of Nsps, which is essential in the life cycle of the virus. The detailed investigation on the structure and catalytic mechanism of 3CLpro makes 3CLpro an attractive target for anti-coronavirus drug development. Inhibitors targeting at SARS-CoV 3CLpro mainly include peptide inhibitors and small-molecule inhibitors.

Based on the protein structure of 3CLpro, we selected 161 top-ranked docked molecules into 3CLpro-Targeted Compound Library (CADD) by molecular docking virtual screening against 15,376 compound structures. To speed up the research and development of anti-SARS-CoV-2 drugs, we provide the virtual screening result for free!

All products from TargetMol are for Research Use Only. Not for Human or Veterinary or Therapeutic Use.
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If the above compound libraries do not match your needs,
please contact our compound library specialist for a customized compound library at inquiry@targetmol.com
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Product Description

  • A unique collection of 161 compounds having the potential of anti-SARS-CoV-2 activity, can be used for high throughput screening and high content screening;
  • Top-ranked docked compounds targeting 3CLpro will improve the hit success rate;
  • Detailed compound information with structure, target, and biological activity description;
  • NMR and HPLC 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
Request Library Compound List (L1712)

Library Composition

Histone Methyltransferase (4)
RAAS (3)
Antibiotic (3)
Prostaglandin Receptor (3)
PDE (3)
AChR (3)
Endogenous Metabolite (3)
DNA/RNA Synthesis (2)
Topoisomerase (2)
TAM Receptor (2)
Src (2)
Phospholipase (2)
GSK-3 (2)
Dopamine Receptor (2)
5-HT Receptor (2)
Antioxidant (2)
Dehydrogenase (1)
Proteasome (1)
p53 (1)
Calcium Channel (1)
PED (1)
Bradykinin Receptor (1)
PKC (1)
PPAR (1)
Antibacterial (1)
Caspase (1)
ribosome (1)
Amino Acids and Derivatives (1)
Adrenergic Receptor (1)
Thrombin (1)
ACK (1)
Trk receptor (1)
Virus Protease (1)
P450 (1)
Norepinephrine (1)
Cysteine Protease (1)
Guanylate cyclase (1)
CXCR (1)
E1/E2/E3 Enzyme (1)
COX (1)
Epigenetic Reader Domain (1)
Estrogen/progestogen Receptor (1)
Fatty Acid Synthase (1)
c-Met/HGFR (1)
HBV (1)
NF-κB (1)
HCV Protease (1)
CDK (1)
HMG-CoA Reductase (1)
JAK (1)
Kinesin (1)
Lipase (1)
LTR (1)
NADPH (1)
Wnt/beta-catenin (1)

Library Information Sample

Empty 1000025-07-9 1000413-72-8 229005-80-5 1000787-75-6 946387-07-1 1000998-59-3 1175526-27-8 1001288-58-9 1001350-96-4 1001404-83-6 Empty
Vadadustat TAK875 TAK-779 Tegobuvir RN-1734 BMS-687453 AM211 FT011 BMS754807 AAI101
Empty 1001625-82-6 1001645-58-4 1001753-24-7 1001908-89-9 1002304-34-8 1002-84-2 100291-86-9 100299-08-9 10030-52-1 10040-45-6 Empty
RPW-24 SRT1720 hydrochloride INH6 SRT 2183 AMG208 Pentadecanoic acid Apiopaeonoside Pemirolast potassium L-Anserine nitrate salt Sodium Picosulfate
Empty 100427-26-7 1004316-88-4 10045-45-1 100462-37-1 1004990-28-6 100-51-6 1005-24-9 1005264-47-0 1005334-57-5 1005342-46-0 Empty
Lercanidipine Cobicistat 1-Ethyl-2-benzimidazolinone ROSIRIDIN PF-AKT400 Benzyl alcohol 1-Methylnicotinamide chloride MX69 CVT-10216 LCL161
Empty 1005491-05-3 100-55-0 1005504-62-0 1005883-72-6 100643-71-8 1007207-67-1 10075-50-0 1007647-73-5 100784-20-1 10083-24-6 Empty
Tirasemtiv Roniacol Rg3039 Z433927330 Desloratadine CH5132799 5-Bromoindole Smurf1-IN-A01 Halosulfuron-methyl Piceatannol
Empty 100872-83-1 100874-08-6 1009119-64-5 1009119-65-6 100929-71-3 1009298-09-2 1009298-59-2 100929-99-5 1009734-33-1 10097-84-4 Empty
ML346 SB 4 Daclatasvir Daclatasvir dihydrochloride NADPH (tetracyclohexanamine) AZD8055 Vistusertib PAβN dihydrochloride HZ1157 Rotundine
Empty 1009816-48-1 1009817-63-3 1009820-21-6 100986-85-4 101001-34-7 1010411-21-8 1010-60-2 1011244-68-0 1011301-27-1 1011529-10-4 Empty
Thiamet G B-AP15 Silmitasertib Levofloxacin Pamicogrel GSK369796 Dihydrochloride 2-Chloronaphthoquinone TFAP Tenovin3 Azvudine
Empty 101152-94-7 101155-02-6 1011557-82-6 1011-74-1 101-20-2 1012054-59-9 101-21-3 101-26-8 101303-98-4 1013101-36-4 Empty
Milnacipran hydrochloride BW-A78U Tenovin-6 DL-Normetanephrine hydrochloride Triclocarban CUDC101 Chlorpropham Mestinon Zacopride hydrochloride PF04691502
Empty 101-31-5 1013-69-0 1013750-77-0 1013753-99-5 10138-52-0 1013920-15-4 1013937-63-7 1014691-61-2 101477-54-7 101494-95-5 Empty
L-Hyoscyamine Noreugenin ML-030 BC-1382 Gadolinium chloride Vorolanib VTP-27999 TFA GSK0660 Lomerizine hydrochloride 8-CHLOROQUINAZOLIN-4(1H)-ONE