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Drug-Fragment Library

Catalog No. L8800
  Library Compound List   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 1159 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.

All products from TargetMol are for Research Use Only. Not for Human or Veterinary or Therapeutic Use.
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Product Description

  • Quantity: 1159 drug fragments,a must-have tool for FBDD;
  • Physiochemical properties: 53% of fragments are Ro3 compliant,and all fragments matching with approved drugs or clinical compounds will have the best drug potential;
  • Quality guaranteed: NMR and HPLC/LCMS validated to ensure high purity and quality;
  • Applicable to various detection methods: suitable for SPR, NMR, and X-ray crystallization screening.

Library Customization

Targetmol Compound Libraries can be highly customized! Learn More

Packaging And Storage

  • Powder or pre-dissolved DMSO solutions in 96/384 well plate with optional 2D barcode
  • Shipped with blue ice
Request Library Compound List (L8800)

Library Composition

Endogenous Metabolite (96)
Antibacterial (76)
Antibiotic (73)
Autophagy (67)
Apoptosis (56)
COX (44)
Adrenergic Receptor (35)
DNA/RNA Synthesis (32)
5-HT Receptor (31)
Sodium Channel (27)
AChR (27)
Dopamine Receptor (24)
Parasite (24)
Nucleoside Antimetabolite/Analog (18)
Histamine Receptor (17)
HIV Protease (17)
Antifungal (17)
MAO (14)
PDE (14)
Influenza Virus (12)
Dehydrogenase (11)
GABA Receptor (11)
Calcium Channel (10)
Monoamine Oxidase (10)
Potassium Channel (10)
Virus Protease (9)
Adenosine Receptor (9)
Mitophagy (9)
HSV (9)
DNA Alkylator/Crosslinker (9)
Carbonic Anhydrase (9)
Reverse Transcriptase (9)
iGluR (9)
P450 (9)
NF-κB (9)
AChE (8)
Norepinephrine (8)
Ferroptosis (8)
PPAR (8)
Reactive Oxygen Species (8)
Estrogen/progestogen Receptor (8)
HBV (7)
GluR (6)
Estrogen Receptor/ERR (6)
TNF (6)
ROS (6)
Amino Acids and Derivatives (6)
DNA Alkylation (5)
TRP/TRPV Channel (5)
EGFR (5)
Serotonin Transporter (5)
MRP (5)
Lipoxygenase (5)
Melatonin Receptor (4)
HDAC (4)
AMPK (4)
Thyroid hormone receptor(THR) (4)
Aromatase (4)
ATPase (4)
HCV Protease (4)
DNA Methyltransferase (4)
Tyrosinase (4)
Prostaglandin Receptor (4)
Opioid Receptor (4)
Drug Metabolite (4)
DHFR (4)
NO Synthase (4)
PKA (3)
Phospholipase (3)
SARS-CoV (3)
NMDAR (3)
Transferase (3)
Microtubule Associated (3)
IL Receptor (3)
Adenosine deaminase (3)
Chloride channel (3)
Antiviral (3)
Antifolate (3)
Fatty Acid Synthase (3)
Glutathione Peroxidase (3)
CAT (3)
Antifection (3)
DNA (3)
TGF-beta/Smad (2)
MMP (2)
ERK (2)
Thrombin (2)
NADPH (2)
MT Receptor (2)
CaMK (2)
STAT (2)
Mitochondrial Metabolism (2)
NOS (2)
Sirtuin (2)
Androgen Receptor (2)
Factor Xa (2)
c-Met/HGFR (2)
Retinoid Receptor (2)
Xanthine Oxidase (2)
Histone Demethylase (2)
PKC (2)
ABC (2)
Free radical scavengers (2)
Interleukin (2)
AhR (2)
Topoisomerase (2)
FGFR (2)
Aryl Hydrocarbon Receptor (1)
Rho (1)
BCL (1)
ROR (1)
RAAS (1)
Pyroptosis (1)
Beta-Secretase (1)
Reductase (1)
RSV (1)
GST (1)
Antioxidant (1)
Serine Protease (1)
Serine/threonin kinase (1)
Syk (1)
Taste receptor (1)
Telomerase (1)
TLR (1)
Akt (1)
advanced glycation end products (1)
Tyrosine Kinases (1)
UGT (1)
VEGFR (1)
Acyltransferase (1)
Wnt/beta-catenin (1)
Progesterone Receptor (1)
PDGFR (1)
Caspase (1)
JAK (1)
Epigenetic Reader Domain (1)
Monocarboxylate transporter (1)
FAAH (1)
FAK (1)
MEK (1)
JNK (1)
IκB/IKK (1)
DUB (1)
Gap Junction Protein (1)
IAP (1)
Hydrogenase (1)
Glutathione reductase (1)
Histone Acetyltransferase (1)
GPR (1)
HIF/HIF Prolyl-Hydroxylase (1)
Endothelin Receptor (1)
NOD (1)
PLK (1)
PD-1/PD-L1 (1)
Platelet aggregation (1)
PI3K (1)
CCR (1)
Phosphatase (1)
PGE Synthase (1)
GSK-3 (1)
CFTR (1)
PARP (1)
NOD-like Receptor (NLR) (1)
PAK (1)
p53 (1)
P2 Receptor (1)
CRISPR/Cas9 (1)
CXCR (1)
CYP19A1 (1)
Decarboxylase (1)
YAP (1)

Library Information Sample

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