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Compound Libraries X Domain-Targeted compound library (CADD)

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!

Pack Size Price/USD
100 μL * 10 mM (in DMSO) 6600.00
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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

Targetmol Compound Libraries can be highly customized! Learn More

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

HEK293 (27)
Beta-lactamase AmpC (22)
Prelamin-A/C (22)
Cellular tumor antigen p53 (19)
Plasmodium falciparum (15)
Mothers against decapentaplegic homolog 3 (13)
Microtubule-associated protein tau (12)
Thyroid hormone receptor beta-1 (11)
Nuclear factor erythroid 2-related factor 2 (9)
Endogenous Metabolite (9)
DNA/RNA Synthesis (8)
Ataxin (8)
Prostaglandin Receptor (8)
Inositol monophosphatase 1 (7)
5-HT Receptor (7)
Geminin (7)
FK506 binding protein 12 (6)
Histone Acetyltransferase (5)
AChR (5)
Adrenergic Receptor (5)
Antioxidant (5)
Dopamine Receptor (5)
TAR DNA-binding protein 43 (5)
Vitamin (5)
Survival motor neuron protein (4)
VEGFR (4)
RAAS (4)
P2 Receptor (4)
Nonstructural protein 1 (4)
ATPase family AAA domain-containing protein 5 (4)
ATP-dependent Clp protease proteolytic subunit (4)
Autophagy (4)
Histone Methyltransferase (4)
Glycoprotein hormones alpha chain (4)
Epigenetic Reader Domain (4)
Glucagon-like peptide 1 receptor (3)
HIV Protease (3)
Huntingtin (3)
Guanine nucleotide-binding protein G(s), subunit alpha (3)
Ataxin-2 (3)
Antibiotic (3)
PKC (3)
Nuclear receptor ROR-gamma (3)
Integrin (3)
NADPH (3)
Potassium Channel (3)
Thioredoxin glutathione reductase (3)
Sirtuin (2)
PPAR (2)
Rho (2)
Raf (2)
Niemann-Pick C1 protein (2)
Menin/Histone-lysine N-methyltransferase MLL (2)
microRNA 21 (2)
LDL (2)
Luciferin 4-monooxygenase (2)
P450 (2)
Parasite (2)
PDE (2)
Antibacterial (2)
Aldehyde dehydrogenase 1A1 (2)
Ferroptosis (2)
Histamine Receptor (2)
IGF-1R (2)
Histone acetyltransferase GCN5 (2)
HMG-CoA Reductase (2)
HSP (2)
GPR (2)
Endothelin Receptor (2)
Caspase (2)
CaSR (1)
CDK (1)
ERK (1)
Estrogen/progestogen Receptor (1)
Fatty Acid Synthase (1)
GST (1)
FLT (1)
GABA Receptor (1)
Gamma-secretase (1)
Gap Junction Protein (1)
Guanylate cyclase (1)
HepG2 (1)
HER (1)
HIF (1)
Alpha-synuclein (1)
Anthrax lethal factor (1)
Akt (1)
Adenosine Receptor (1)
Acetyl-CoA Carboxylase (1)
15-hydroxyprostaglandin dehydrogenase [NAD+] (1)
Antifection (1)
Antifolate (1)
ATPase (1)
Apoptosis (1)
Apoptosis inducer (1)
BTK (1)
E1/E2/E3 Enzyme (1)
EGFR (1)
CETP (1)
c-Fms (1)
c-Kit (1)
c-Met/HGFR (1)
c-RET (1)
CSF-1R (1)
CXCR (1)
Cysteine Protease (1)
Dehydrogenase (1)
DNA dC->dU-editing enzyme APOBEC-3F (1)
DNA polymerase iota (1)
PED (1)
Phosphatase (1)
PD-1/PD-L1 (1)
PLK (1)
p53 (1)
P2X Receptor (1)
Nucleoside Antimetabolite/Analog (1)
OX Receptor (1)
Lysosomal alpha-glucosidase (1)
MAO (1)
MAPK (1)
Kappa opioid receptor (1)
NMDAR (1)
MMP (1)
Neuropeptide S receptor (1)
NF-κB (1)
RAR/RXR (1)
Ras-related protein Rab-9A (1)
Reverse Transcriptase (1)
ribosome (1)
ROR (1)
Tie-2 (1)
TLR (1)
Topoisomerase (1)
Transferase (1)
TRP/TRPV Channel (1)
Tyrosine Kinases (1)
Tyrosyl-DNA phosphodiesterase 1 (1)
Sodium Channel (1)
STAT (1)
TGF-beta/Smad (1)
Voltage-gated T-type calcium channel alpha-1H subunit (1)
Zinc finger protein GLI1 (1)