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ACE2-Targeted Compound Library (CADD)

Catalog No. L1713
  Library Compound List   Excel SDF

The host ACE2 has been proved by many studies to be the specific receptor for the Spike RBD of SARS-CoV12. The latest research shows that the host receptor of SARS-CoV-2 is consistent with SARS-CoV, exhibiting that the Spike RBD sequence of SARS-CoV-2 is similar to SARS-CoV RBD and there are important interactions between several key amino acid residues of RBD receptor-binding motif and ACE2. Based on the current research progress, ACE2 is considered as a host target for the treatment of coronavirus infection to block SARS-CoV-2 from entering host cells. 

By binding with ACE2, small molecules have the potential to disrupt the interaction of ACE2 with RBD. Based on the protein structure of human ACE2, we selected 462 top-ranked docked molecules into ACE2-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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Product Description

  • A unique collection of 462 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 human ACE2 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 (L1713)

Library Composition

Antioxidant (13)
Antibacterial (9)
Adrenergic Receptor (8)
Histone Methyltransferase (7)
Prostaglandin Receptor (6)
DNA/RNA Synthesis (5)
Epigenetic Reader Domain (5)
Calcium Channel (5)
HIV Protease (5)
RAAS (4)
Potassium Channel (4)
HMG-CoA Reductase (4)
Sodium Channel (4)
BCL (3)
Caspase (3)
PKC (3)
AChR (3)
HDAC (3)
PDE (3)
Autophagy (3)
Akt (3)
P450 (3)
VEGFR (3)
Vitamin (3)
PI3K (2)
Endogenous Metabolite (2)
NF-κB (2)
Estrogen/progestogen Receptor (2)
P2 Receptor (2)
mTOR (2)
Opioid Receptor (2)
NOS (2)
Reverse Transcriptase (2)
MMP (2)
c-RET (2)
Topoisomerase (2)
ribosome (2)
SGLT (2)
Sirtuin (2)
Tyrosinase (2)
CCR (2)
Thrombin (2)
Antibiotic (2)
MRP (1)
Vasopressin Receptor (1)
NADPH (1)
Trk receptor (1)
Transferase (1)
OX Receptor (1)
TNF (1)
Protease-activated Receptor (1)
TLR (1)
P2X Receptor (1)
TAM Receptor (1)
Stemness kinase (1)
p53 (1)
RAR/RXR (1)
PDK (1)
Raf (1)
Phosphorylase (1)
MEK (1)
Reductase (1)
Gamma-secretase (1)
Lipoxygenase (1)
Aromatase (1)
c-Met/HGFR (1)
c-Kit (1)
CDK (1)
Cannabinoid Receptor (1)
Bradykinin Receptor (1)
ATP Citrate Lyase (1)
Apoptosis (1)
CSF-1R (1)
Antifolate (1)
Androgen Receptor (1)
Adenosine Receptor (1)
Acetyl-CoA Carboxylase (1)
STAT (1)
S1P Receptor (1)
ROS (1)
COX (1)
CXCR (1)
JAK (1)
FGFR (1)
Integrin (1)
HER (1)
HCV Protease (1)
GTPase (1)
GPR (1)
Glutathione reductase (1)
FLT (1)
Ferroptosis (1)
Dehydrogenase (1)
Fatty Acid Synthase (1)
ERK (1)
EGFR (1)
E1/E2/E3 Enzyme (1)
Dopamine Receptor (1)
Discoidin Domain Receptor (DDR) (1)
DHFR (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