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X Domain-Targeted Compound Library (CADD)

Catalog No. L1718
  Library Compound List   Excel SDF

X domain is a conserved structure of pp1a and becomes a part of nsp3 after pp1a cleaved by a virally encoded cysteine protease, the papain-like protease (PLpro).  Nsp3 is a viral transmembrane domain-containing protein, a component of the replicase complex, and is of special interest since it is believed to be part of the central scaffolding protein of the replicase complex due to the large number of interactions with other nsps. The N-terminal region of the nsp3 (181-1000) is highly conserved among CoV, containing a ubiquitin-like (Ubl) globular fold followed by a flexible, extended acidic-domain (AC domain) rich in glutamic acid (38%). Next to the AC domain is a catalytically active ADP-ribose-1″-phosphatase (ADRP, app-1”-pase) domain (also called macro domain or X domain) thought to play a role during synthesis of viral subgenomic RNAs .  

Based on the protein structure of X domain, we selected 463 top-ranked docked molecules into X Domain-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 463 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 X-domain of nsp3 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 (L1718)

Library Composition

Endogenous Metabolite (9)
Prostaglandin Receptor (8)
5-HT Receptor (7)
Antioxidant (5)
Dopamine Receptor (5)
Vitamin (5)
AChR (5)
Adrenergic Receptor (5)
DNA/RNA Synthesis (4)
VEGFR (4)
RAAS (4)
Autophagy (4)
P2 Receptor (4)
Antibiotic (3)
Potassium Channel (3)
PKC (3)
NADPH (3)
Epigenetic Reader Domain (3)
Integrin (3)
HIV Protease (3)
Rho (2)
P450 (2)
Parasite (2)
PDE (2)
LDL (2)
Caspase (2)
IGF-1R (2)
HSP (2)
HMG-CoA Reductase (2)
Histamine Receptor (2)
PPAR (2)
Antibacterial (2)
Raf (2)
GPR (2)
Sirtuin (2)
Ferroptosis (2)
Endothelin Receptor (2)
Tie-2 (1)
Antifolate (1)
p53 (1)
TRP/TRPV Channel (1)
PD-1/PD-L1 (1)
Transferase (1)
PED (1)
Phosphatase (1)
Topoisomerase (1)
TLR (1)
STAT (1)
TGF-beta/Smad (1)
ribosome (1)
PLK (1)
Sodium Channel (1)
ATPase (1)
Apoptosis (1)
CaSR (1)
ROR (1)
RAR/RXR (1)
Reverse Transcriptase (1)
P2X Receptor (1)
c-Met/HGFR (1)
OX Receptor (1)
GABA Receptor (1)
CSF-1R (1)
CXCR (1)
Cysteine Protease (1)
Dehydrogenase (1)
c-Kit (1)
Akt (1)
E1/E2/E3 Enzyme (1)
EGFR (1)
c-Fms (1)
CETP (1)
Estrogen/progestogen Receptor (1)
Fatty Acid Synthase (1)
FLT (1)
Gamma-secretase (1)
Adenosine Receptor (1)
Gap Junction Protein (1)
GST (1)
Guanylate cyclase (1)
HER (1)
HIF (1)
Acetyl-CoA Carboxylase (1)
Antifection (1)
MAO (1)
MAPK (1)
MMP (1)
CDK (1)
c-RET (1)
NMDAR (1)
Nucleoside Antimetabolite/Analog (1)
NF-κB (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