抗COVID-19化合物库

Anti-COVID-19 Compound Library

产品编号： L1710

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。 TargetMol 作为药筛领域的专家，快速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，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。TargetMol 的药物虚拟筛选团队关注到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，就迅速投入到抗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药物并攻克疫情助一臂之力！我们将依据科研进展保持抗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。

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产品规格

技术资料

陶术生物化合物库目录(2.8MB)

库化合物信息

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产品描述

1133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。

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化合物库组成

Autophagy (165)

Endogenous Metabolite (138)

Apoptosis (137)

Antibacterial (95)

HIV Protease (84)

Antibiotic (81)

DNA/RNA Synthesis (49)

Influenza Virus (47)

HCV Protease (31)

Parasite (31)

Reactive Oxygen Species (29)

SARS-CoV (29)

Reverse Transcriptase (28)

HBV (27)

Calcium Channel (27)

Potassium Channel (27)

Adrenergic Receptor (26)

HSV (25)

Antifungal (24)

5-HT Receptor (24)

RAAS (23)

COX (23)

NF-κB (23)

P450 (23)

Ferroptosis (22)

PI3K (20)

Antioxidant (19)

Histamine Receptor (19)

Nucleoside Antimetabolite/Analog (19)

AChR (19)

Mitophagy (18)

VEGFR (18)

Dopamine Receptor (17)

Histone Methyltransferase (17)

Dehydrogenase (16)

Virus Protease (16)

Antiviral (15)

Prostaglandin Receptor (15)

PDE (14)

Antifection (14)

c-Kit (14)

CCR (13)

Epigenetic Reader Domain (13)

Sodium Channel (13)

PKC (12)

Topoisomerase (12)

PDGFR (12)

EGFR (12)

TNF (12)

FLT (12)

HDAC (11)

Proteasome (10)

PPAR (10)

CDK (10)

mTOR (10)

Phosphatase (9)

JAK (9)

Akt (9)

ribosome (9)

Src (8)

Adenosine Receptor (8)

Caspase (8)

TLR (8)

AMPK (8)

c-Met/HGFR (7)

Raf (7)

STAT (7)

FGFR (7)

Transferase (6)

Integrin (6)

Estrogen Receptor/ERR (6)

Tyrosine Kinases (6)

Wnt/beta-catenin (6)

Opioid Receptor (6)

BCL (6)

MMP (6)

Phospholipase (6)

HMG-CoA Reductase (6)

TAM Receptor (6)

ATPase (5)

DHFR (5)

p38 MAPK (5)

Estrogen/progestogen Receptor (5)

P2Y Receptor (5)

GSK-3 (5)

Antifolate (5)

ERK (5)

iGluR (5)

Glucocorticoid Receptor (5)

Bcr-Abl (5)

Gamma-secretase (5)

Interleukin (5)

TGF-beta/Smad (5)

AChE (5)

GABA Receptor (5)

MEK (5)

Ras (5)

Tyrosinase (5)

HIF/HIF Prolyl-Hydroxylase (5)

Carbonic Anhydrase (4)

Reductase (4)

MRP (4)

Serine/threonin kinase (4)

NMDAR (4)

IGF-1R (4)

P-gp (4)

HSP (4)

Sirtuin (4)

Nrf2 (4)

c-RET (4)

Microtubule Associated (4)

Thrombin (4)

NOS (3)

DNA-PK (3)

NADPH (3)

JNK (3)

PKA (3)

Rho (3)

Cysteine Protease (3)

TRP/TRPV Channel (3)

MAO (3)

E1/E2/E3 Enzyme (3)

Drug Metabolite (3)

Glucosidase (3)

Mitochondrial Metabolism (3)

ROS (3)

Fatty Acid Synthase (3)

FAAH (3)

CXCR (3)

Lipoxygenase (3)

Norepinephrine (3)

DNA (3)

GluCls (3)

Beta Amyloid (3)

c-Fms (3)

GPR (3)

IRAK (3)

PD-1/PD-L1 (3)

NO Synthase (3)

HER (3)

Proton pump (2)

Amino Acids and Derivatives (2)

LPL Receptor (2)

Lipase (2)

ABC (2)

CaSR (2)

PARP (2)

Serine Protease (2)

Serotonin Transporter (2)

NAMPT (2)

Glucokinase (2)

CSF-1R (2)

P2X Receptor (2)

BTK (2)

DPP-4 (2)

IL Receptor (2)

PTEN (2)

Chk (2)

OX Receptor (2)

GluR (2)

CaMK (2)

Androgen Receptor (2)

Telomerase (2)

SGLT (2)

Trk receptor (2)

Histone Acetyltransferase (2)

transporter (2)

PAI-1 (2)

Casein Kinase (2)

IκB/IKK (2)

ATM/ATR (2)

Acetyl-CoA Carboxylase (2)

Ligand for E3 Ligase (2)

CRISPR/Cas9 (2)

PDK (2)

Hydroxylase (2)

PLK (2)

Cannabinoid Receptor (2)

Gap Junction Protein (2)

Platelet aggregation (2)

DNA Methyltransferase (2)

S6 Kinase (2)

Protease-activated Receptor (2)

lysosomal autophagy (2)

FAK (2)

NOD-like Receptor (NLR) (2)

p53 (2)

S1P Receptor (2)

Kinesin (2)

Thyroid hormone receptor(THR) (1)

Mdm2 (1)

Chloride channel (1)

Taste receptor (1)

PROTACs (1)

NPC1L1 (1)

ROR (1)

NEDD8 (1)

CRM1 (1)

Ligands for Target Protein for PROTAC (1)

YAP (1)

IFNAR (1)

Na+/Ca2+ Exchanger (1)

RAR/RXR (1)

Cell wall (1)

PERK (1)

CETP (1)

Tie-2 (1)

gp120/CD4 (1)

Glutathione Peroxidase (1)

TOPK (1)

GTPase (1)

VDA (1)

Melatonin Receptor (1)

GNRH Receptor (1)

Hck (1)

cell cycle arrest (1)

FXR (1)

Stemness kinase (1)

Glutaminase (1)

IAP (1)

IRE1 (1)

Annexin A (1)

Adiponectin receptor (1)

UGT (1)

Fas/FasL (1)

LDL (1)

MT Receptor (1)

Phosphorylase (1)

DNA gyrase (1)

Molecular Glues (1)

Guanylate cyclase (1)

Integrase (1)

PROTAC Linker (1)

Bombesin Receptor (1)

PAK (1)

Thioredoxin (1)

Hedgehog/Smoothened (1)

Stearoyl-CoA Desaturase (SCD) (1)

PGC-1α (1)

Bradykinin Receptor (1)

Vasopressin Receptor (1)

Endothelin Receptor (1)

ACK (1)

Aurora Kinase (1)

cAMP (1)

ATP Citrate Lyase (1)

Lipid (1)

PGE Synthase (1)

Glutathione reductase (1)

MAPK (1)

Acyltransferase (1)

OAT (1)

MNK (1)

Survivin (1)

GPCR19 (1)

Aminopeptidase (1)

Decarboxylase (1)

ASK (1)

Pyroptosis (1)

ALK (1)

RSV (1)

Neprilysin (1)

GST (1)

Retinoid Receptor (1)

LPA Receptor (1)

Aromatase (1)

PI4K (1)

HIF (1)

Complement System (1)

Neurokinin receptor (1)

Discoidin Domain Receptor (DDR) (1)

Syk (1)

NADPH-oxidase (1)

Sigma receptor (1)

cholecystokinin (1)

AhR (1)

CFTR (1)

MLK (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
Empty	Vadadustat	TAK875	TAK-779	Tegobuvir	RN-1734	BMS-687453	AM211	FT011	BMS754807	AAI101	Empty
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
Empty	RPW-24	SRT1720 hydrochloride	INH6	SRT 2183	AMG208	Pentadecanoic acid	Apiopaeonoside	Pemirolast potassium	L-Anserine nitrate salt	Sodium Picosulfate	Empty
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
Empty	Lercanidipine	Cobicistat	1-Ethyl-2-benzimidazolinone	ROSIRIDIN	PF-AKT400	Benzyl alcohol	1-Methylnicotinamide chloride	MX69	CVT-10216	LCL161	Empty
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
Empty	Tirasemtiv	Roniacol	Rg3039	Z433927330	Desloratadine	CH5132799	5-Bromoindole	Smurf1-IN-A01	Halosulfuron-methyl	Piceatannol	Empty
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
Empty	ML346	SB 4	Daclatasvir	Daclatasvir dihydrochloride	NADPH (tetracyclohexanamine)	AZD8055	Vistusertib	PAβN dihydrochloride	HZ1157	Rotundine	Empty
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
Empty	Thiamet G	B-AP15	Silmitasertib	Levofloxacin	Pamicogrel	GSK369796 Dihydrochloride	2-Chloronaphthoquinone	TFAP	Tenovin3	Azvudine	Empty
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
Empty	Milnacipran hydrochloride	BW-A78U	Tenovin-6	DL-Normetanephrine hydrochloride	Triclocarban	CUDC101	Chlorpropham	Mestinon	Zacopride hydrochloride	PF04691502	Empty
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
Empty	L-Hyoscyamine	Noreugenin	ML-030	BC-1382	Gadolinium chloride	Vorolanib	VTP-27999 TFA	GSK0660	Lomerizine hydrochloride	8-CHLOROQUINAZOLIN-4(1H)-ONE	Empty

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