nsp15靶向化合物库(CADD)

nsp15-Targeted compound library (CADD)
产品编号 L1719
  库化合物信息   Excel SDF

2020年3月2日,来自芝加哥大学等机构的研究人员合作,在预印本网站BioRxiv 发表论文:Crystal structure of Nsp15 endoribonuclease NendoU from SARS-CoV-2。该研究解析了新冠病毒中一个可作为药物研究靶向蛋白质nsp15的晶体结构。研究结果显示,SARS-CoV-2的 nsp15 蛋白与SARS病毒中蛋白质的结构相似程度高达89%。2010年发表的有关SARS 病毒的研究表明,抑制nsp15可以减慢病毒复制。这表明,针对nsp15的药物或可以开发为对抗COVID-19的有效药物。

基于分子对接的虚拟筛选工作有望快速筛选出高亲和力的靶向小分子药物,最终可为抗COVID-19病毒药物筛选的分子和细胞水平生物实测验证提供更多候选化合物。陶素生化的药物虚拟筛选团队在第一时间关注到nsp15蛋白的结构信息后,就投入到高效的抗COVID-19病毒靶标虚拟筛选工作中。研究团队采用药物设计平台Sybyl-X2.0的Surflex分子对接技术,选用TargetMol库(7729个)和Bioactive Compound Library(7647个)2个库共15376个化合物进行虚拟筛选。针对nsp15靶点,经过基于分子对接的虚拟筛选,我们选出了评分排名top 470的化合物组成nsp15靶向化合物库,是筛选抗新型冠状病毒药物的有力工具。希望我们的工作可以为成功开发抗COVID-19病毒药物并最终攻克疫情助一臂之力!

nsp15靶向化合物库(CADD)
规格 价格/RMB
100 μL * 10 mM (in DMSO) 57100.00
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产品描述

  • 470个具有潜在抗COVID-19活性的化合物集合,适用于高通量和高内涵筛选,是开发抗COVID-19药物的有力工具;
  • 基于nsp15靶点虚拟筛选结果设计,选择高评分化合物,提高筛选成功率;
  • 信息详尽:化合物结构、靶点信息、活性描述等,为活性实验开展提供参考;
  • NMR、HPLC/LCMS等多种检测技术保证产品结构正确,纯度高,减少假阳性。

化合物库定制

我们的化合物库可以灵活定制! 了解更多

包装和存储

  • 干粉或者DMSO溶液置于带二维码的储存管中,或排列于96孔板/384孔板;
  • 蓝冰运输
获取筛选库化合物信息 (L1719)

化合物库组成

Beta-lactamase AmpC (19)
Adrenergic Receptor (18)
Cellular tumor antigen p53 (18)
Prelamin-A/C (17)
Glucagon-like peptide 1 receptor (16)
Nuclear factor erythroid 2-related factor 2 (15)
Plasmodium falciparum (14)
Microtubule-associated protein tau (13)
HEK293 (13)
Mothers against decapentaplegic homolog 3 (10)
Endogenous Metabolite (10)
Histone Methyltransferase (9)
Geminin (9)
Thyroid hormone receptor beta-1 (9)
Prostaglandin Receptor (8)
DNA/RNA Synthesis (8)
5-HT Receptor (7)
Nuclear receptor ROR-gamma (7)
Nonstructural protein 1 (7)
VEGFR (6)
Dopamine Receptor (6)
c-Kit (6)
FK506 binding protein 12 (5)
Guanine nucleotide-binding protein G(s), subunit alpha (5)
P450 (5)
PDGFR (4)
RAAS (4)
Integrin (4)
Histamine Receptor (4)
Glucocorticoid Receptor (4)
Glycoprotein hormones alpha chain (4)
COX (4)
AChR (4)
Adenosine Receptor (4)
Ataxin (4)
Ataxin-2 (4)
Antibacterial (4)
Calcium Channel (3)
Aldehyde dehydrogenase 1A1 (3)
AMPK (3)
Antioxidant (3)
Antiviral (3)
Autophagy (3)
DNA polymerase iota (3)
Histone Acetyltransferase (3)
MMP (3)
NADPH (3)
TAR DNA-binding protein 43 (3)
Src (3)
Potassium Channel (3)
P2 Receptor (3)
PKC (2)
P-gp (2)
STAT (2)
Survival motor neuron protein (2)
TAM Receptor (2)
ribosome (2)
NMDAR (2)
MRP (2)
lysosomal autophagy (2)
Inositol monophosphatase 1 (2)
LDL (2)
HIV Protease (2)
HCV Protease (2)
HDAC (2)
EGFR (2)
c-Met/HGFR (2)
Bcr-Abl (2)
GPR (2)
GR (2)
ERK (2)
FGFR (2)
Antifection (2)
ATP-dependent Clp protease proteolytic subunit (2)
Vitamin (2)
TLR (2)
TNF (1)
Topoisomerase (1)
Transferase (1)
VDA (1)
Wnt/beta-catenin (1)
Thyroid stimulating hormone receptor (1)
Antibiotic (1)
ATM/ATR (1)
ATP Citrate Lyase (1)
ATPase (1)
ATPase family AAA domain-containing protein 5 (1)
Cannabinoid CB1 receptor (1)
Carbonic Anhydrase (1)
CDK (1)
Bradykinin Receptor (1)
Bromodomain adjacent to zinc finger domain protein 2B (1)
BTK (1)
Apoptosis (1)
Apoptosis inducer (1)
Aromatase (1)
Androgen Receptor (1)
Annexin A (1)
AhR (1)
Akt (1)
ALK (1)
Alpha-galactosidase A (1)
Alpha-synuclein (1)
Amino Acids and Derivatives (1)
Aberrant vpr protein (1)
Epigenetic Reader Domain (1)
FLT (1)
Fructose-bisphosphate aldolase (1)
Gamma-secretase (1)
Gap Junction Protein (1)
GTPase (1)
Glucokinase (1)
Hck (1)
Beta-2 adrenergic receptor (1)
c-Fms (1)
Chloride channel (1)
c-RET (1)
CSF-1R (1)
Cysteine Protease (1)
DHFR (1)
DNA Alkylation (1)
DPP-4 (1)
E1/E2/E3 Enzyme (1)
HIF (1)
HIF/HIF Prolyl-Hydroxylase (1)
HMG-CoA Reductase (1)
HSP (1)
Huntingtin (1)
IL Receptor (1)
Lethal(3)malignant brain tumor-like protein 1 (1)
LTR (1)
Luciferin 4-monooxygenase (1)
MAPK (1)
microRNA 21 (1)
IκB/IKK (1)
JNK (1)
NOD-like Receptor (NLR) (1)
Neuropeptide S receptor (1)
Niemann-Pick C1 protein (1)
Nucleoside Antimetabolite/Analog (1)
Opioid Receptor (1)
ROR (1)
Serotonin 6 (5-HT6) receptor (1)
Sigma receptor (1)
Sirtuin (1)
Sodium Channel (1)
Raf (1)
RAR/RXR (1)
Ras-related protein Rab-9A (1)
Relaxin receptor 1 (1)
Telomerase (1)
TGF-beta receptor type II (1)
Proteasome (1)
Phosphatase (1)
Phospholipase (1)
PI3K (1)
p53 (1)
PAI-1 (1)
PARP (1)
PKM (1)
PPAR (1)
Platelet aggregation (1)

化合物库信息示例

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
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