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 1158 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.

Pack Size
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)

Request for Quote

If the above compound libraries do not match your needs,
please contact our compound library specialist for a customized compound library at inquiry@targetmol.com

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Product Description

Quantity: 1158 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

Supporting Files

Library Handling Instructions (635 KB) Targetmol Library Catalog (13.2 MB) Request for Library Compostion in Excel and SDF files

Publications Cited TargetMol Libraries

1. Cell Stem Cell. 2022 Apr 29(4) 545–558. 2. Science Bulletin. 2022. 3. Science Translational Medicine. 2022, 14(656): eabn3231. 4. Science Advances. 2023, 9(9): eade3760. 5. Nature. 2020, 582: 289-293. 6. Nature Biotechnology. 2021, 39(11): 1444-1452. 7. Nature Communications. 2022, 13(1): 1-15.. 8. Nature Communications. 2023, 14(1): 1020.. 9. Nature Communications. 2023, 14(1): 2756..

10. Blood. 2021, 137(11): 1478-1490. 11. Nucleic Acids Research. 2021. 12. Nature Communications. 2023, 14(1): 7574. 13. Advanced Science. 2020, 7(16): 2000925. 14. Angewandte Chemie. 2021. 15. Acta Pharmaceutica Sinica B. 2022. 16. Protein & Cell. 2021, 12(11): 877-888. 17. Bone Research. 2023, 11(1): 54. 18. Pharmacology & Therapeutics. (2021): 107930. 19. Nature Communications. 2021, 12(1): 1-12. 20. Journal of Cell Biology. 2022, 221(5): e202112024.

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Library Composition

Endogenous Metabolite (96)

Antibacterial (77)

Antibiotic (73)

Autophagy (67)

Apoptosis (56)

COX (44)

Adrenergic Receptor (35)

DNA/RNA Synthesis (32)

5-HT Receptor (31)

AChR (28)

Sodium Channel (27)

Parasite (24)

Dopamine Receptor (24)

Nucleoside Antimetabolite/Analog (18)

Antifungal (17)

Histamine Receptor (17)

HIV Protease (17)

PDE (14)

MAO (14)

Influenza Virus (12)

GABA Receptor (11)

Dehydrogenase (11)

Monoamine Oxidase (10)

Calcium Channel (10)

Potassium Channel (10)

Adenosine Receptor (9)

Virus Protease (9)

HSV (9)

DNA Alkylator/Crosslinker (9)

Carbonic Anhydrase (9)

P450 (9)

Mitophagy (9)

iGluR (9)

Reverse Transcriptase (9)

NF-κB (9)

Reactive Oxygen Species (8)

PPAR (8)

Estrogen/progestogen Receptor (8)

Ferroptosis (8)

AChE (8)

Norepinephrine (8)

HBV (7)

ROS (6)

Estrogen Receptor/ERR (6)

Amino Acids and Derivatives (6)

TNF (6)

GluR (6)

DNA Alkylation (5)

Serotonin Transporter (5)

MRP (5)

EGFR (5)

TRP/TRPV Channel (5)

Lipoxygenase (5)

NO Synthase (4)

HCV Protease (4)

Melatonin Receptor (4)

Opioid Receptor (4)

HDAC (4)

Drug Metabolite (4)

Thyroid hormone receptor(THR) (4)

DNA Methyltransferase (4)

Aromatase (4)

DHFR (4)

AMPK (4)

Prostaglandin Receptor (4)

Tyrosinase (4)

ATPase (4)

Ligand for E3 Ligase (3)

Molecular Glues (3)

Phospholipase (3)

Transferase (3)

Antifection (3)

IL Receptor (3)

Antifolate (3)

NMDAR (3)

Antiviral (3)

Adenosine deaminase (3)

PKA (3)

Microtubule Associated (3)

SARS-CoV (3)

Fatty Acid Synthase (3)

DNA (3)

Glutathione Peroxidase (3)

Chloride channel (3)

CAT (3)

HIF/HIF Prolyl-Hydroxylase (3)

Topoisomerase (2)

Nrf2 (2)

Sirtuin (2)

NADPH (2)

Thrombin (2)

MT Receptor (2)

STAT (2)

Retinoid Receptor (2)

TGF-beta/Smad (2)

PKC (2)

MMP (2)

Xanthine Oxidase (2)

NOS (2)

Imidazoline Receptor (2)

Mitochondrial Metabolism (2)

AhR (2)

FGFR (2)

CaMK (2)

c-Met/HGFR (2)

Factor Xa (2)

Histone Demethylase (2)

Androgen Receptor (2)

Free radical scavengers (2)

ABC (2)

Interleukin (2)

ERK (2)

RSV (1)

CXCR (1)

Caspase (1)

Serine Protease (1)

Serine/threonin kinase (1)

ROR (1)

CFTR (1)

Rho (1)

CCR (1)

CYP19A1 (1)

CRISPR/Cas9 (1)

Telomerase (1)

Syk (1)

Taste receptor (1)

Reductase (1)

Beta-Secretase (1)

BCL (1)

TLR (1)

Aryl Hydrocarbon Receptor (1)

Antioxidant (1)

Akt (1)

Tyrosine Kinases (1)

UGT (1)

VEGFR (1)

advanced glycation end products (1)

Wnt/beta-catenin (1)

Acyltransferase (1)

Decarboxylase (1)

Progesterone Receptor (1)

DUB (1)

Gap Junction Protein (1)

JNK (1)

JAK (1)

Monocarboxylate transporter (1)

IκB/IKK (1)

IAP (1)

Hydrogenase (1)

Histone Methyltransferase (1)

NOD (1)

NOD-like Receptor (NLR) (1)

Histone Acetyltransferase (1)

GST (1)

GSK-3 (1)

GPR (1)

Glutathione reductase (1)

p53 (1)

RAAS (1)

FAAH (1)

Pyroptosis (1)

Endothelin Receptor (1)

MEK (1)

Epigenetic Reader Domain (1)

PLK (1)

Platelet aggregation (1)

PI3K (1)

PAK (1)

FAK (1)

Phosphatase (1)

PGE Synthase (1)

PDGFR (1)

PD-1/PD-L1 (1)

PARP (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
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