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TargetMol | Compound Library

高溶解性片段药效团化合物库现货

High Solubility Pharmacophore Fragment Library

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产品编号 L7830

基于片段的药物设计引入了自下而上的药物开发过程,改善了化学空间的多样性并提高了早期药物发现的有效性。我们将药效团的使用(代表药物-靶标相互作用的常规概念)与蛋白质热点理论相结合,为片段库开发设计方案。 SpotXplorer 方法编译小片段文库,在优选的热点上充分扩大实验证实的结合药效团的覆盖范围。我们精心挑选的高溶解性片段药效团库包含985 个片段小分子。

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产品编号 L7830

高溶解性片段药效团化合物库

规格

  • 1 mg
  • 5 mg
  • 10 mg
  • 30 μL x 10 mM (in DMSO)
  • 50 μL x 10 mM (in DMSO)
  • 100 μL x 10 mM (in DMSO)
  • 250 μL x 10 mM (in DMSO)
询价 & 定制

Product Description 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. We analyzed the key interactions discovered by target protein hot spots to derive the fragment pharmacophore represented by the fragment-protein complex available in the PDB. Using this information, we designed a set of minimal diversified commercial fragments, covering most experiments combined with pharmacophore, used to identify the starting point of the fragment for drug discovery targets.

Library Desgin:

Packaging And Storage | TargetMol 包装和储存

  • 可选用DMSO耐受的96/384孔板或2D 条形码编码管;
  • 干粉蓝冰运输,DMSO溶液干冰运输;
  • 排布:96孔板:1st & 12th 空白对照,384孔板:1st & 2nd & 23th & 24th空白对照。

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Library Customization | TargetMol 化合物库组成

Endogenous Metabolite
AChR
Autophagy
Histamine Receptor
AChE
Antibacterial
Antiviral
Apoptosis
CAT
DPP-4
Drug Metabolite
ERK
HCV Protease
IL Receptor
Interleukin
JAK
Mitophagy
NF-κB
P450
PDE
Platelet aggregation
Sodium Channel
TNF
Tyrosine Kinases
Virus Protease

Supporting Files | TargetMol 化合物库信息

Empty19673-95-114548-46-01363383-43-0648409-30-733763-20-1119082-97-2278788-66-299902-72-4651006-70-143200-81-3Empty
Compound Fr12412Compound Fr12465Compound FL0234Compound Fr13814Compound Fr13329Compound Fr13047Compound FL0153Compound Fr12834Compound Fr14212Compound PDK0219
Empty184847-97-095533-25-855695-51-7536-69-6165115-15-1127561-18-6218286-84-176883-37-9175135-28-121168-71-8Empty
Compound Fr12717Compound FL0161Compound Fr13380Compound Fr12377Compound Fr14148Compound Fr13451Compound Fr13376Compound Fr16665Compound Fr13835Compound Fr13703
Empty301335-11-518640-74-96299-25-8198084-13-824686-78-053786-28-0175135-63-4869901-08-61523606-42-969491-57-2Empty
Compound Fr14338Compound Fr14527Compound Fr12812Compound Fr12545Compound Fr12983Domperidone EP Impurity ACompound Fr13359Compound Fr12876Compound FL0052Compound Fr12137
Empty197800-84-374852-81-627104-73-02051-28-7123987-12-21031843-22-785553-54-46311-84-8175202-37-6551950-47-1Empty
Compound Fr14215Compound Fr12206Compound Fr12569Compound Fr14044Compound Fr13098Compound Fr12945Compound Fr12513Compound Fr12172Compound Fr12203Compound FL0179
Empty64038-03-5921939-13-1533-30-220485-41-0423769-75-9157610-82-72686-86-4103573-92-8927679-54-7934570-47-5Empty
Compound Fr14223Compound Fr12743Compound Fr14200Compound Fr13701Compound Fr12447Compound Fr12166Compound PDK0141Compound Fr12605Compound FL0066Compound Fr13031
Empty886851-41-824666-56-6384338-23-2852180-64-4626-60-8230-46-6366-18-71234616-78-45036-48-694015-05-1Empty
Compound Fr13025Compound PDK0134Compound FL0156Compound Fr128733-ChloropyridineCompound Fr124012,2'-BipyridineCompound FL0083Compound Fr14392Compound Fr13728
Empty198835-05-1951624-83-263214-58-41215372-00-1106429-29-2312-73-2436-72-61401464-07-079047-41-9850375-02-9Empty
Compound FL0033Compound Fr12156Compound Fr12843Compound Fr13809Compound Fr136172-(Trifluoromethyl)benzimidazoleCompound Fr16682Compound FL0067(2-butyl-4-chloro-1H-imidazol-5-yl)methanolCompound Fr13297
Empty5059-36-933034-67-2635712-88-810010-93-210177-12-56628-77-917334-08-6690632-12-3258264-37-8306937-37-1Empty
Compound Fr13128Compound Fr12462Compound FL0123Compound Fr14278Compound Fr12888Compound Fr14328Compound Fr14028Compound Fr13395Compound Fr13208Compound Fr12529