高溶解性片段库

High Solubility Fragment Library

产品编号： L7800

FBDD 方法的前提是建立高品质的片段库，片段分子往往需要满足“三规则”，分子量小于300，氢键供体和受体不超过3，可旋转键数目不超过3，cLogP 小于3。高溶解性片段库按照“三规则”建立，绝大部分片段分子量小于300，氢键供体与受体数量均不高于3，且每个片段均测试过溶解度：DMSO （200 mM）与 PBS（1 mM ）。

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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

Excel

SDF

产品描述

数量：2728种片段分子合集，数量适中，是FBDD方法新药筛选的有力工具。
药化性质：化合物库依据Fragment的RO3原则构建进行，具有优良的药化性质，便于后续结构优化。
多样性：药效团丰富，极大的覆盖了可能的空间结构。每一个分子在设计之初的时候均考虑了结构的多样性和新颖性。
溶解度：保证在DMSO和PBS buffer中的溶解度：DMSO (200 mM) ，PBS (1 mM)。
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。

化合物库定制

我们的化合物库可以灵活定制！了解更多

化合物库咨询

化合物库组成

Endogenous Metabolite (26)

Antibacterial (11)

Apoptosis (8)

Autophagy (7)

Sodium Channel (5)

AChR (4)

HCV Protease (3)

Antifungal (3)

Antioxidant (3)

Histamine Receptor (3)

COX (3)

Influenza Virus (3)

Anti-infection (3)

Antibiotic (3)

Ferroptosis (2)

Mitophagy (2)

PPAR (2)

Parasite (2)

Adrenergic Receptor (2)

MAO (2)

Drug Metabolite (2)

IL Receptor (2)

DNA/RNA Synthesis (2)

AChE (2)

Aromatase (2)

NF-κB (2)

5-HT Receptor (2)

Monoamine Oxidase (2)

HIV Protease (1)

CAT (1)

Carbonic Anhydrase (1)

Dehydrogenase (1)

JNK (1)

Virus Protease (1)

MRP (1)

Tyrosine Kinases (1)

Nucleoside Antimetabolite/Analog (1)

TRP/TRPV Channel (1)

ERK (1)

iGluR (1)

Adiponectin receptor (1)

PDE (1)

CDK (1)

Reactive Oxygen Species (1)

DPP-4 (1)

JAK (1)

FAAH (1)

HSV (1)

MMP (1)

Aurora Kinase (1)

Interleukin (1)

ATP Citrate Lyase (1)

Akt (1)

Acyltransferase (1)

Antiviral (1)

Trk receptor (1)

Free radical scavengers (1)

Reverse Transcriptase (1)

Retinoid Receptor (1)

STAT (1)

AMPK (1)

Phospholipase (1)

P450 (1)

TNF (1)

Potassium Channel (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
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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