Home Tools
Log in
Products Inhibitors Libraries Kits Services Contact Us
Cart
Peptides Monoclonal Antibodies Dye Reagents PROTAC Virtual Screening Targetmol Kits Cell Counting Kit-8 (CCK-8) Inhibitor Cocktails Natural Products Phenols Alkaloids Flavonoids
Inhibitors Angiogenesis Apoptosis Autophagy Cell Cycle/Checkpoint Chromatin/Epigenetic Cytoskeletal Signaling DNA Damage/DNA Repair Endocrinology/Hormones GPCR/G Protein Immunology/Inflammation JAK/STAT signaling
MAPK Membrane transporter/Ion channel Metabolism Microbiology/Virology Neuroscience NF-Κb oxidation-reduction PI3K/Akt/mTOR signaling Proteases/Proteasome Stem Cells Tyrosine Kinase/Adaptors Ubiquitination Others
Compound Libraries Focused Bioactive Libraries General Bioactive Libraries Approved / Repurposing Disease Focused Target / Pathway Focused Characteristic Bioactive Libraries Natural Product Libraries Natural Product Library for HTS Characteristic Natural Product Libraries Natural Product Derivatives Libraries Natural Product Library for CADD Drug-like Compound Libraries Fragment Libraries Custom Compound Library
Signaling Pathways Angiogenesis Apoptosis Autophagy Cell Cycle/Checkpoint Chromatin/Epigenetic Cytoskeletal Signaling
DNA Damage/DNA Repair Endocrinology/Hormones GPCR/G Protein Immunology/Inflammation JAK/STAT signaling MAPK Membrane transporter/Ion channel
Metabolism Microbiology/Virology Neuroscience NF-Κb oxidation-reduction PI3K/Akt/mTOR signaling Proteases/Proteasome
Stem Cells Tyrosine Kinase/Adaptors Ubiquitination
Focused Bioactive Libraries General Bioactive Libraries Approved / Repurposing Disease Focused Target / Pathway Focused Characteristic Bioactive Libraries
Natural Product Libraries Natural Product Library for HTS Characteristic Natural Product Libraries Natural Product Derivatives Libraries Natural Product Library for CADD
Drug-like Compound Libraries Compound Libraries for HTS/HCS
Fragment Libraries General Fragment Libraries Characteristic Fragment Libraries Custom Compound Library

High Solubility Pharmacophore Fragment Library

Catalog No. L7830
  Library Compound List   Excel SDF

Fragment-based drug design has introduced a bottom-up process for drug development, with improved sampling of chemical space and increased effectiveness in early drug discovery. Here, we combine the use of pharmacophores, the most general concept of representing drug-target interactions with the theory of protein hotspots, to develop a design protocol for fragment libraries. The SpotXplorer approach compiles small fragment libraries that maximize the coverage of experimentally confirmed binding pharmacophores at the most preferred hotspots. Our carefully selected High Solubility Pharmacophore Fragment library contains 985 fragment small molecules.

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
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
Request Library
Get quote

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：

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
Request Library Compound List (L7830)

Library Composition

Endogenous Metabolite (6)
Autophagy (2)
Histamine Receptor (2)
AChR (2)
AChE (1)
Mitophagy (1)
Tyrosine Kinases (1)
TNF (1)
Sodium Channel (1)
Platelet aggregation (1)
PDE (1)
P450 (1)
NF-κB (1)
IL Receptor (1)
JAK (1)
Interleukin (1)
HCV Protease (1)
ERK (1)
Drug Metabolite (1)
DPP-4 (1)
CAT (1)
Apoptosis (1)
Antiviral (1)
Antibacterial (1)
Virus Protease (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
CORPORATE
About Us Privacy Notice Events & News Terms & Conditions
SUPPORT
Contact Us Worldwide Distributors Quality Control Technical Support
RESOURCE
Product Catalog Product Citations Signaling Pathways Solution Calculators
FOLLOW OUR
Social Network
Newsletter Subscription
Subscribe to receive our lastest product updates and special offers!
Corporate
Support
Resource
Products are chemical reagents for research use only and are not intended for human use. We do not sell to patients.
Copyright © 2015-2022 TargetMol Chemicals Inc. All rights reserved.