药物片段库 | TargetMol

药物片段库

Drug-Fragment Library

产品编号： L8800

近年来，FBDD 方法受到许多药物研发人员的关注。利用FBDD 方法已成功产生了3种上市药物（Vemurafenib、Venetoclax 和Erdafitinib）和30多种临床期药物，表明该技术具有较好的应用前景。

同一药物的不同分子片段可以分别出现在其他的药物结构中，这些片段结构与药物的药理药效性质存在一定的相关性，利用这些片段分子进行药物设计可能更容易寻找到具有理想药物性质的活性先导化合物。

高质量的片段库能够提高FBDD 筛选命中率，增加筛选成功率。Targetmol 对2080种上市药物和1100种临床期药物进行片段化处理和层层筛选，构建了一个由1119 种片段分子组成的药物片段库，是基于FBDD 药物筛选的有力工具。

陶术生物的所有产品和服务仅用于科学研究，我们不为任何个人用途提供产品和服务。

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

Excel

SDF

产品描述

数量：1119种药物片段分子，是FBDD方法新药筛选的有力工具；
药化性质：超过53%的片段完全符合Ro3原则，所有片段均可找到对应药物，具有更佳的成药潜力；
质量保证：NMR、HPLC/LCMS等多种检测技术保证产品结构正确，纯度高；
适用方法多样：适合SPR，核磁，X射线单晶衍射等多种检测手段进行新药开发。

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化合物库组成

Endogenous Metabolite (89)

Antibacterial (75)

Antibiotic (72)

Autophagy (66)

Apoptosis (53)

COX (43)

Adrenergic Receptor (31)

DNA/RNA Synthesis (29)

5-HT Receptor (29)

AChR (25)

Parasite (24)

Sodium Channel (23)

Dopamine Receptor (22)

Nucleoside Antimetabolite/Analog (18)

HIV Protease (17)

Antifungal (17)

Histamine Receptor (17)

MAO (14)

PDE (14)

Dehydrogenase (11)

Influenza Virus (11)

GABA Receptor (10)

Monoamine Oxidase (10)

Adenosine Receptor (9)

Mitophagy (9)

Virus Protease (9)

Calcium Channel (9)

iGluR (9)

HSV (9)

Reverse Transcriptase (9)

NF-κB (9)

Estrogen/progestogen Receptor (8)

PPAR (8)

Norepinephrine (8)

AChE (8)

P450 (8)

Potassium Channel (8)

Carbonic Anhydrase (7)

Ferroptosis (7)

DNA Alkylator/Crosslinker (7)

HBV (7)

Reactive Oxygen Species (7)

Estrogen Receptor/ERR (6)

GluR (6)

Amino Acids and Derivatives (5)

Serotonin Transporter (5)

ROS (5)

Lipoxygenase (5)

EGFR (5)

TNF (5)

Thyroid hormone receptor(THR) (4)

ATPase (4)

DHFR (4)

HCV Protease (4)

Melatonin Receptor (4)

MRP (4)

TRP/TRPV Channel (4)

Drug Metabolite (4)

Opioid Receptor (4)

DNA Alkylation (4)

Prostaglandin Receptor (4)

HDAC (4)

Aromatase (4)

AMPK (4)

DNA Methyltransferase (4)

Tyrosinase (4)

NO Synthase (4)

Chloride channel (3)

CAT (3)

Transferase (3)

Glutathione Peroxidase (3)

PKA (3)

Antifolate (3)

NMDAR (3)

Antifection (3)

Molecular Glues (3)

Fatty Acid Synthase (3)

IL Receptor (3)

Antiviral (3)

SARS-CoV (3)

Ligand for E3 Ligase (3)

Phospholipase (3)

Adenosine deaminase (3)

Microtubule Associated (3)

HIF/HIF Prolyl-Hydroxylase (3)

NOS (2)

c-Met/HGFR (2)

NADPH (2)

Factor Xa (2)

ABC (2)

PKC (2)

ERK (2)

Topoisomerase (2)

MT Receptor (2)

Mitochondrial Metabolism (2)

MMP (2)

Xanthine Oxidase (2)

CaMK (2)

Interleukin (2)

Free radical scavengers (2)

Nrf2 (2)

STAT (2)

Retinoid Receptor (2)

FGFR (2)

Thrombin (2)

AhR (2)

Imidazoline Receptor (2)

advanced glycation end products (1)

Taste receptor (1)

Monocarboxylate transporter (1)

Hydrogenase (1)

ROR (1)

CYP19A1 (1)

Histone Methyltransferase (1)

YAP (1)

PI3K (1)

Antioxidant (1)

Reductase (1)

Histone Demethylase (1)

RAAS (1)

JNK (1)

Phosphatase (1)

Progesterone Receptor (1)

GSK-3 (1)

Tyrosine Kinases (1)

Wnt/beta-catenin (1)

PARP (1)

Rho (1)

Serine/threonin kinase (1)

VEGFR (1)

Caspase (1)

Aryl Hydrocarbon Receptor (1)

IAP (1)

UGT (1)

BCL (1)

JAK (1)

PDGFR (1)

PAK (1)

FAAH (1)

CCR (1)

CXCR (1)

Endothelin Receptor (1)

Epigenetic Reader Domain (1)

DNA (1)

DUB (1)

Androgen Receptor (1)

Telomerase (1)

TGF-beta/Smad (1)

Akt (1)

PGE Synthase (1)

Beta-Secretase (1)

Glutathione reductase (1)

Acyltransferase (1)

TLR (1)

Sirtuin (1)

Decarboxylase (1)

Pyroptosis (1)

RSV (1)

IκB/IKK (1)

GST (1)

CRISPR/Cas9 (1)

GPR (1)

PLK (1)

MEK (1)

Gap Junction Protein (1)

Platelet aggregation (1)

Syk (1)

NOD (1)

FAK (1)

NOD-like Receptor (NLR) (1)

CFTR (1)

p53 (1)

PD-1/PD-L1 (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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