抗COVID-19化合物库

Anti-COVID-19 Compound Library
产品编号 L1710
  库化合物信息   Excel SDF

为应对COVID-19疫情所造成的全球公共卫生危机,相关部门即出台相应政策支持针对 COVID-19的快速诊断试剂研发及相关治疗药物研发,包括已上市药物的筛选验证及中成药和天然药物有效成分的筛选验证研究、抗体/疫苗类新药研发等。

陶素作为药筛领域的专家,第一时间研究并推出了适合此次疫情的抗COVID-19化合物库,包含Part1和Part2两部分:

Part1为目前公开报道的对其有抑制作用或潜在抑制作用的化合物以及其他相关抗病毒药物,其中有 Lopinavir/Ritonavir(克力芝)、Chloroquine diphosphate(二磷酸氯喹,与Remdesivir联用)、Polydatin(虎杖苷,与Mpro结合较好,可能对病毒有抑制作用)等化合物;

另外,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SARS-CoV-2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8个抗SARS-CoV-2相关蛋白靶点(RBD、ACE2、Mpro(又名3CLpro)、PLpro、nsp16、X结构域、RdRp(又名nsp12)、nsp15)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,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。基于上述虚拟筛选的结果,Part2收录了近2000种具有抗COVID-19 CADD活性的化合物,希望我们的工作可以为成功开发抗COVID-19药物并最终攻克疫情助一臂之力!

我们将依据最新的科研进展保持抗COVID-19化合物库的更新,一起为阻击新型冠状病毒疫情发展贡献力量。

抗COVID-19化合物库
规格 价格/RMB
100 μL * 10 mM (in DMSO) 195840.00
咨询化合物库

产品描述

  • 2448种对SARS-CoV-2有抑制作用或潜在抑制作用的化合物集合,可用于高通量和高内涵筛选;
  • 包括Lopinavir/Ritonavir(克力芝)、Chloroquine diphosphate(二磷酸氯喹,与Remdesivir联用)、Polydatin(虎杖苷,与Mpro结合较好,可能对病毒有抑制作用)等化合物;
  • 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 (L1710)

化合物库组成

Nonstructural protein 1 (131)
HEK293 (86)
Prelamin-A/C (77)
Beta-lactamase AmpC (77)
Cellular tumor antigen p53 (74)
Microtubule-associated protein tau (66)
Mothers against decapentaplegic homolog 3 (63)
Plasmodium falciparum (55)
Thyroid hormone receptor beta-1 (54)
Nuclear factor erythroid 2-related factor 2 (52)
DNA/RNA Synthesis (51)
HIV Protease (46)
Glucagon-like peptide 1 receptor (40)
Adrenergic Receptor (36)
HCV Protease (32)
Histone Methyltransferase (31)
TAR DNA-binding protein 43 (31)
Geminin (30)
Antibacterial (28)
Ataxin-2 (28)
Endogenous Metabolite (27)
Ataxin (25)
Guanine nucleotide-binding protein G(s), subunit alpha (25)
5-HT Receptor (24)
AChR (23)
Antioxidant (23)
Autophagy (22)
RAAS (22)
Nuclear receptor ROR-gamma (21)
Dopamine Receptor (21)
Calcium Channel (20)
Antibiotic (20)
Potassium Channel (20)
Antiviral (19)
Aberrant vpr protein (19)
VEGFR (19)
Dehydrogenase (17)
COX (17)
Glycoprotein hormones alpha chain (17)
Reverse Transcriptase (17)
PI3K (17)
Histamine Receptor (17)
Histone Acetyltransferase (16)
Epigenetic Reader Domain (16)
c-Kit (16)
ATPase family AAA domain-containing protein 5 (16)
ATP-dependent Clp protease proteolytic subunit (14)
Antifection (14)
FK506 binding protein 12 (14)
P450 (14)
Influenza Virus (13)
Inositol monophosphatase 1 (13)
CCR (13)
EGFR (12)
PDE (12)
Prostaglandin Receptor (12)
Topoisomerase (12)
Sodium Channel (11)
ribosome (11)
NF-κB (11)
HBV (11)
FLT (11)
ERK (11)
DNA polymerase iota (10)
CDK (10)
HDAC (10)
PDGFR (10)
PKC (10)
Src (10)
Survival motor neuron protein (9)
HSV (9)
mTOR (9)
Aldehyde dehydrogenase 1A1 (9)
Bcr-Abl (8)
microRNA 21 (8)
JAK (8)
Huntingtin (8)
PPAR (8)
TLR (8)
TNF (8)
Vitamin (8)
Tyrosine Kinases (7)
Proteasome (7)
Raf (7)
Integrin (7)
AMPK (7)
Akt (6)
BCL (6)
ATPase (6)
c-Met/HGFR (6)
c-RET (6)
Estrogen/progestogen Receptor (6)
FGFR (6)
Ras-related protein Rab-9A (6)
STAT (6)
TAM Receptor (6)
Thrombin (5)
Short transient receptor potential channel 4 (5)
Opioid Receptor (5)
Parasite (5)
Niemann-Pick C1 protein (5)
P2 Receptor (5)
Human immunodeficiency virus 1 (5)
HMG-CoA Reductase (5)
NADPH (5)
GABA Receptor (5)
Glucocorticoid Receptor (5)
Glucokinase (5)
Caspase (5)
DHFR (5)
Adenosine Receptor (5)
Antifungal (5)
Androgen Receptor (4)
Carbonic Anhydrase (4)
DNA dC->dU-editing enzyme APOBEC-3F (4)
Cruzipain (4)
Cysteine Protease (4)
GSK-3 (4)
MRP (4)
MEK (4)
MMP (4)
MAO (4)
HSP (4)
NMDAR (4)
Phospholipase (4)
Reductase (4)
Thioredoxin glutathione reductase (4)
Sirtuin (4)
Transferase (4)
Tyrosinase (4)
Wnt/beta-catenin (3)
TGF-beta/Smad (3)
Phosphatase (3)
Rho (3)
Serine Protease (3)
ROS (3)
S1P Receptor (3)
PKM (3)
PKA (3)
PAI-1 (3)
Norepinephrine (3)
NOS (3)
OX Receptor (3)
Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (3)
IL Receptor (3)
HER (3)
lysosomal autophagy (3)
Luciferin 4-monooxygenase (3)
Menin/Histone-lysine N-methyltransferase MLL (3)
Microtubule Associated (3)
GPR (3)
GR (3)
GluCls (3)
Gamma-secretase (3)
Ferroptosis (3)
CXCR (3)
DNA Alkylation (3)
DNA-PK (3)
BTK (3)
Beta-glucocerebrosidase (3)
Anthrax lethal factor (3)
Apoptosis (3)
ATM/ATR (3)
Alpha-synuclein (3)
Amino Acids and Derivatives (2)
Acetyl-CoA Carboxylase (2)
ABC (2)
Aromatase (2)
Apoptosis inducer (2)
Aurora Kinase (2)
ATP-dependent DNA helicase Q1 (2)
Casein Kinase (2)
CaMK (2)
DPP-4 (2)
DNA Methyltransferase (2)
DNA polymerase eta (2)
CSF-1R (2)
Chk (2)
Fatty Acid Synthase (2)
Gap Junction Protein (2)
Glutaminase kidney isoform, mitochondrial (2)
Glutathione reductase (2)
Lysosomal alpha-glucosidase (2)
LDL (2)
IκB/IKK (2)
JNK (2)
Kinesin (2)
Lipase (2)
HIF (2)
HepG2 (2)
Histone acetyltransferase GCN5 (2)
Hydroxylase (2)
IGF-1R (2)
Neuropeptide S receptor (2)
Nucleoside Antimetabolite/Analog (2)
P-gp (2)
PARP (2)
PD-1/PD-L1 (2)
p38 MAPK (2)
p53 (2)
PDK (2)
Platelet aggregation (2)
PLK (2)
Proton pump (2)
S6 Kinase (2)
SARS-CoV (2)
Retinoid Receptor (2)
Telomerase (2)
SGLT (2)
Trk receptor (2)
Thyroid stimulating hormone receptor (2)
Tie-2 (1)
Thyroid hormone receptor(THR) (1)
TRP/TRPV Channel (1)
Tyrosyl-DNA phosphodiesterase 1 (1)
UGT (1)
Vaccinia virus (1)
Vasopressin Receptor (1)
VDA (1)
Vesicular stomatitis virus (1)
Virus Protease (1)
Survivin (1)
Syk (1)
Stearoyl-CoA Desaturase (SCD) (1)
Stemness kinase (1)
TGF-beta receptor type II (1)
Thioredoxin (1)
Thioredoxin reductase 1, cytoplasmic (1)
Zinc finger protein GLI1 (1)
Voltage-gated T-type calcium channel alpha-1H subunit (1)
Relaxin receptor 1 (1)
ROR (1)
Serine/threonin kinase (1)
Serotonin 6 (5-HT6) receptor (1)
Sigma receptor (1)
Sigma-1 receptor (1)
Protease-activated Receptor (1)
RAR/RXR (1)
Ras (1)
Prostaglandin E synthase (1)
PED (1)
Peripheral-type benzodiazepine receptor (1)
Phosphorylase (1)
Nucleic Acid (1)
P2X Receptor (1)
NPC1L1 (1)
Nrf2 (1)
NOD-like Receptor (NLR) (1)
Human herpesvirus 1 strain KOS (1)
Intestinal alkaline phosphatase (1)
INS1 (1)
Integrase (1)
HIF/HIF Prolyl-Hydroxylase (1)
High-affinity choline transporter (1)
Hepatitis C virus NS3 protease/helicase (1)
Hck (1)
Guanylate cyclase (1)
Lipid (1)
Lipoxygenase (1)
LPA Receptor (1)
LTR (1)
Large T antigen (1)
Kappa opioid receptor (1)
MAPK (1)
Mdm2 (1)
Lethal(3)malignant brain tumor-like protein 1 (1)
LHRH (1)
MNK (1)
Mitophagy (1)
MLK (1)
MT Receptor (1)
MPO (1)
NADPH-oxidase (1)
NAMPT (1)
Neprilysin (1)
GluR (1)
Glutaminase (1)
GST (1)
GTPase (1)
GNRH Receptor (1)
gp120/CD4 (1)
GPCR19 (1)
Genome polyprotein (1)
GHSR (1)
Fructose-bisphosphate aldolase (1)
FXR (1)
Epstein-Barr nuclear antigen 1 (1)
FAAH (1)
FAD-linked sulfhydryl oxidase ALR (1)
FAK (1)
Fas/FasL (1)
Chloride channel (1)
CaSR (1)
C-C chemokine receptor type 5 (1)
CPT (1)
CRM1 (1)
Cytochrome P450 19A1 (1)
Cytochrome P450 1A2 (1)
Decarboxylase (1)
DNA dC->dU-editing enzyme APOBEC-3G (1)
DNA gyrase (1)
Discoidin Domain Receptor (DDR) (1)
E1/E2/E3 Enzyme (1)
Endothelin Receptor (1)
cAMP (1)
Cannabinoid CB1 receptor (1)
Cannabinoid Receptor (1)
BVDV (1)
cell cycle arrest (1)
Cell wall (1)
CETP (1)
c-Fms (1)
CFTR (1)
ATP-dependent molecular chaperone HSP82 (1)
Beta-2 adrenergic receptor (1)
Bombesin Receptor (1)
Bradykinin Receptor (1)
Breast cancer type 1 susceptibility protein (1)
Bromodomain adjacent to zinc finger domain protein 2B (1)
Arachidonate 15-lipoxygenase (1)
Arginase (1)
ASK (1)
ATP Citrate Lyase (1)
Annexin A (1)
Antifolate (1)
15-hydroxyprostaglandin dehydrogenase [NAD+] (1)
3C-like protease (1)
ACK (1)
Aminopeptidase (1)
ALK (1)
Alpha-galactosidase A (1)
AhR (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
陶术生物的所有产品和服务仅用于科学研究,我们不为任何其他用途提供产品和服务,也不为任何个人提供产品和服务。陶素|陶素生化|陶术|陶术生物
微信公众号
Copyright © 2018 Topscience Co. Ltd. All rights reserved. 沪ICP备20019793号-2 沪公网安备 31010602004043号