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Drug-Fragment Library

カタログ番号 L8800
  ライブラリー構成化合物リスト   Excel SDF

Fragment-based drug discovery (FBDD) has emerged in the past decade as a powerful tool for discovering drug leads. FBDD has played a role in discovery of 3 approved drugs (Vemurafenib, Venetoclax, and Erdafitinib) and at least 30 drugs that are in various stages of clinical development. A fragment-based approach is particularly valuable for more challenging classes of new targets (or “undruggable” targets) where more conventional screening (HTS) has already failed.

Drug-like compounds are often composed of several segmental fragments, any one substructure of a molecule could have affinity for a subpocket fingerprint shared between two or more proteins. There is a significant structure-activity relationship between fragment structure and drug properties. It is easier to find a small molecule that complements a particular subsite within a binding site than a larger molecule that is complementary to the entire site; thus, FBDD usually yields higher hit rates than HTS. In addition, it is easier for fragment optimization to generate leads with improved ADME profile by merging, linking or growing fragments.

It is commonly recognized that high-quality fragment library can increase the FBDD screening hit rate. To meet researchers' expectations, Targetmol created a drug fragment library consisting of 1119 fragments arising from the smart fragmentation of 2080 approved drugs and 1100 clinical compounds by structure review and applying many layers of industry recommended medchem filters, including PAINS.

TargetMolの製品は全て研究用試薬です。人体にはご使用できません。 また、個人の方への販売は行っておりません。
パッケージサイズ
1 mg
5 mg
10 mg
30 μL * 10 mM (in DMSO)
50 μL * 10 mM (in DMSO)
100 μL * 10 mM (in DMSO)
250 μL * 10 mM (in DMSO)
If the above compound libraries do not match your needs,
please contact our compound library specialist for a customized compound library at [email protected]
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製品概要

  • 1119種類の薬剤フラグメントでFBDDには必須のツール
  • フラグメントの53%で物理化学的性質がRo3の基準に合致
  • 承認薬または臨床試験中の化合物と一致するフラグメントはいずれも期待大
  • NMRとHPLC/LCMSにより高純度と高品質を担保
  • SPR、NMR、およびX線結晶化スクリーニングなどの検出方法に適用

ライブラリーのカスタマイズ

TargetMol社化合物ライブラリーは自由にカスタマイズできます! もっと詳しく

梱包・保管

  • バーコード付き貯蔵管や96/384-wellプレートに入っている粉末固体またはDMSO溶液
  • ブルーアイス同梱にて出荷
ライブラリ構成化合物複合リストをリクエスト (L8800)

Publications Cited TargetMol Libraries

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化合物ライブラリー情報実例

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