半胱氨酸共价化合物库

Cysteine Covalent Library

产品编号： L9411

我们设计了一个半胱氨酸特异性共价库。碎片的亲电“弹头”是丙烯酰胺或氯乙酰胺（分别为库的 25% 和 75%）。选择这些官能团来构建化合物库是因为它们处于反应性的“理想位置”，并且在化学蛋白质组学筛选中显示出选择性。半胱氨酸共价库包含 150 个化合物。

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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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Product Description

The theoretical basis of FBDD is to select favorable fragment combinations or extensions to obtain new drug molecules, with a higher probability of obtaining highly active drug candidates. Compared with the screening of millions of macromolecules, thousands of fragment molecules can be combined to form millions of drug structures, which are easier to collect and manage. In addition, fragments have smaller molecular weights, relatively higher solubility, and easier structural optimization. The potential of over-the-counter medicine is higher. In recent years, covalent chemical probes have become an important tool for drug discovery. A large number of successful applications in the evaluation of protein druggability, especially the successful application of Cys residues, bring hope for the discovery and synthesis of new covalently modified compounds. To this end, we designed a cysteine-specific covalent library. The electrophilic "warhead" of the fragments is acrylamide or chloroacetamide (25% and 75% of the library, respectively). These functional groups were chosen to construct the library because they are in the "best position" for reactivity and show selectivity in chemical proteomics screening.

Examples of structural features:

化合物库定制

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化合物库组成

EGFR (36)

Kras (20)

BTK (18)

FGFR (12)

Apoptosis (9)

Caspase (7)

Dehydrogenase (5)

JAK (5)

Endogenous Metabolite (4)

HER (4)

Src (3)

YAP (3)

Glucocorticoid Receptor (3)

Antibacterial (3)

Autophagy (3)

Antibiotic (3)

Proteasome (2)

HIV Protease (2)

Integrin (2)

Ferroptosis (2)

Antioxidant (2)

Parasite (2)

Raf (2)

Reactive Oxygen Species (2)

Akt (2)

Pyroptosis (2)

P450 (2)

Ras (2)

Thrombin (2)

Proton pump (1)

MALT (1)

Histone Methyltransferase (1)

Ligands for Target Protein for PROTAC (1)

Glutathione Peroxidase (1)

Phosphatase (1)

GSK-3 (1)

c-Myc (1)

Tyrosine Kinases (1)

Cysteine Protease (1)

Glutaminase (1)

Calcium Channel (1)

PKC (1)

ERK (1)

Immunology/Inflammation related (1)

CSF-1R (1)

E1/E2/E3 Enzyme (1)

RIP kinase (1)

CDK (1)

Mitochondrial Metabolism (1)

Opioid Receptor (1)

Smo (1)

Thioredoxin (1)

PDGFR (1)

IL Receptor (1)

IGF-1R (1)

DUB (1)

COX (1)

Interleukin (1)

DNA/RNA Synthesis (1)

Glutathione reductase (1)

SARS-CoV (1)

Beta Amyloid (1)

GPX (1)

c-Fms (1)

Melanocortin Receptor (1)

PDK (1)

NF-κB (1)

Phospholipase (1)

HIF (1)

Platelet aggregation (1)

FLT (1)

Anti-infection (1)

IRAK (1)

HIF/HIF Prolyl-Hydroxylase (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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