Multifunctional Covalent Fragment Library
Based on 83 publication(s) in Google Scholar
Different functional groups confer unique chemical properties and reactivity characteristics to compounds. The presence of these functional groups not only affects the physical properties of the compounds, such as solubility and boiling point, but also determines their chemical reactivity and potential applications in chemical synthesis.
Covalent ligands rely on reactive groups (“warheads”), and new warheads are key to expanding the scope of covalent modalities. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 4,900 multifunctional covalent fragments.
For pre-dissolved solutions, 10 mM for compounds with the solubility not lower than 10 mM, and 2 mM for compounds with solubility between 2 mM and 10 mM.
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Description & Advantages
• A unique collection of 4,900 multifunctional covalent fragments contains at least two functional groups, with one of those being a covalent warhead..
• Careful choice of warheads: only experimentally confirmed reactivity, no over-reactive warheads, no alternative reactive functionalities.
• A useful tool for fragment-based covalent drug discovery, screening novel covalent warheads, and constructing a library of covalent compounds.
• All compounds are available off the shelf.
• LCMS or NMR validated to ensure high purity and quality.
Product Details
4,900 fragments contain at least two functional groups, with one of those being a covalent warhead.
Solution: 4,800 compounds supplied in 10 mM solution, 1 compounds supplied in 2 mM solution.
96- or 384-well Plate with Peelable Foil Seal; 96-well Format Sample Storage Tube With Screw Cap and Optional 2D Barcode.
Publications (83)
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Journal Impact Factor
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Most Recent
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Signal Transduct Target Ther
Selective depletion of tumor-associated SAMHD1 enhances chemotherapeutic efficacy and antitumor immune responses. [Abstract]2025 Dec 15;10(1):406. PMID: 41392286 -
Signal Transduct Target Ther
Z-DNA-binding protein 1 exacerbates myocardial ischemia‒reperfusion injury by inducing noncanonical cardiomyocyte PANoptosis. [Abstract]2025 Oct 7;10(1):333. PMID: 41052986 -
Chem Rev
2020 Oct 28;120(20):11616-11650. PMID: 32930577 -
Nat Med
2017 Apr 7;23(4):405-408. PMID: 28388612 -
Circulation
Novel CaMKII-δ Inhibitor Hesperadin Exerts Dual Functions to Ameliorate Cardiac Ischemia/Reperfusion Injury and Inhibit Tumor Growth. [Abstract]2022 Apr 12;145(15):1154-1168. PMID: 35317609 -
Nat Commun
Correction of the molecular phenotype of X-linked Dystonia-Parkinsonism reveals a non-canonical function of BRD4. [Abstract]2026 May 5;17(1):4062. PMID: 42086561 -
Nat Commun
2025 Nov 13;16(1):9860. PMID: 41233320 -
Nat Commun
Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease. [Abstract]2020 Sep 4;11(1):4417. PMID: 32887884 -
Nat Commun
Dysregulation of mitochondrial dynamics proteins are a targetable feature of human tumors. [Abstract]2018 Apr 26;9(1):1677. PMID: 29700304 -
J Adv Res
LTX-315 is a novel broad-spectrum antimicrobial peptide against clinical multidrug-resistant bacteria. [Abstract]2025 Jan 9:S2090-1232(24)00621-0. PMID: 39793961 -
Metabolism
2026 Jul:180:156622. PMID: 41997496 -
Mol Cell
2025 Jul 3;85(13):2581-2596.e6. PMID: 40555234 -
Acta Pharm Sin B
Chrysin serves as a novel inhibitor of DGK α/FAK interaction to suppress the malignancy of esophageal squamous cell carcinoma (ESCC). [Abstract]2021 Jan;11(1):143-155. PMID: 33532186 -
J Biomed Sci
STAT3 exacerbates survival of cancer stem-like tumorspheres in EGFR-positive colorectal cancers: RNAseq analysis and therapeutic screening. [Abstract]2018 Aug 2;25(1):60. PMID: 30068339 -
Adv Sci (Weinh)
Agnuside Stabilizes the Complex I Assembly Factor NDUFAF6 to Reinforce Mitochondrial Efficiency and Thermogenic Responsiveness. [Abstract]2026 Jun 16:e16501. PMID: 42299748 -
Adv Sci (Weinh)
Gut Bacterium Lysinibacillus Sphaericus Exacerbates Aspirin-induced Intestinal Injury by Production of Carboxylesterase EstB. [Abstract]2025 Dec 12:e17747. PMID: 41387308 -
Sci Adv
Quantitative prediction of siRNA complexation by ionizable drugs enables their codelivery in nanoparticles. [Abstract]2026 Jun 12;12(24):eaed2731. PMID: 42284421 -
Cancer Lett
2026 Apr 1:642:218300. PMID: 41651400 -
Cell Death Discov
2023 Dec 1;9(1):435. PMID: 38040674 -
Arthritis Rheumatol
Deficiency of cartilage-specific Y-box binding protein 1 represses NF-κB signaling and alleviates osteoarthritis progression. [Abstract]2025 Jul 14. PMID: 40654155 -
Proc Natl Acad Sci U S A
CRISPR screens identify the ATPase VCP as a druggable therapeutic vulnerability in cholangiocarcinoma. [Abstract]2025 Sep 30;122(39):e2519568122. PMID: 40991439 -
Cell Chem Biol
2026 Apr 27:S2451-9456(26)00110-8. PMID: 42049033 -
Cell Chem Biol
An engineered cysteine sensor optimized for high-throughput screening identifies regulators of intracellular thiol levels. [Abstract]2025 Nov 20;32(11):1381-1396.e8. PMID: 41218609 -
Clin Transl Med
Functional genomics pipeline identifies CRL4 inhibition for the treatment of ovarian cancer. [Abstract]2025 Feb;15(2):e70078. PMID: 39856363 -
EMBO Mol Med
In vitro and in vivo drug screens of tumor cells identify novel therapies for high-risk child cancer. [Abstract]2022 Apr 7;14(4):e14608. PMID: 34927798 -
J Cheminform
HAMdb: a database of human autophagy modulators with specific pathway and disease information. [Abstract]2018 Jul 31;10(1):34. PMID: 30066211 -
Cell Rep
A Landscape of Therapeutic Cooperativity in KRAS Mutant Cancers Reveals Principles for Controlling Tumor Evolution. [Abstract]2017 Jul 25;20(4):999-1015. PMID: 28746882 -
Cell Syst
A Library of Phosphoproteomic and Chromatin Signatures for Characterizing Cellular Responses to Drug Perturbations. [Abstract]2018 Apr 25;6(4):424-443.e7. PMID: 29655704 -
Anal Chem
Longitudinal Fragment Profiles Based on Multi-Collision Energy Tandem Mass Spectra Improve the Accuracy of Metabolite Identification in Untargeted Metabolomics. [Abstract]2025 Jul 15;97(27):14349-14360. PMID: 40592760 -
J Med Chem
From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions. [Abstract]2018 Jan 11;61(1):360-371. PMID: 29240409 -
Emerg Microbes Infect
A novel transcription and replication-competent virus-like particles system modelling the Nipah virus life cycle. [Abstract]2024 Jun 12:2368217. PMID: 38865205 -
J Invest Dermatol
Combined Cyclin-Dependent Kinase Inhibition Overcomes MAPK/Extracellular Signal-Regulated Kinase Kinase Inhibitor Resistance in Plexiform Neurofibroma of Neurofibromatosis Type I. [Abstract]2022 Mar;142(3 Pt A):613-623.e7. PMID: 34534577 -
Biochem Pharmacol
Givinostat rescues folding of cystathionine beta-synthase and ameliorates murine homocystinuria. [Abstract]2025 Jun 24:239:117079. PMID: 40571220 -
Biochem Pharmacol
High-throughput screening as a drug repurposing strategy for poor outcome subgroups of pediatric B-cell precursor Acute Lymphoblastic Leukemia. [Abstract]2023 Nov:217:115809. PMID: 37717691 -
Life Sci
Identification of novel CDK 9 inhibitors based on virtual screening, molecular dynamics simulation, and biological evaluation. [Abstract]2020 Oct 1;258:118228. PMID: 32781071 -
Front Pharmacol
CC-223, NSC781406, and BGT226 Exerts a Cytotoxic Effect Against Pancreatic Cancer Cells via mTOR Signaling. [Abstract]2020 Nov 11;11:580407. PMID: 33343350 -
Bioorg Chem
Discovery of novel TLR4/MD-2 inhibitors: Receptor structure-based virtual screening studies and anti-inflammatory evaluation. [Abstract]2023 Dec:141:106880. PMID: 37783098 -
Int J Antimicrob Agents
Immunomodulator AS101 restores colistin susceptibility of clinical colistin-resistant Escherichia coli and Klebsiella pneumoniae in vitro and in vivo. [Abstract]2024 Aug 5:107285. PMID: 39111708 -
Sci Rep
Unveiling some FDA-approved drugs as inhibitors of the store-operated Ca2+ entry pathway. [Abstract]2017 Oct 16;7(1):12881. PMID: 29038464 -
ACS Infect Dis
Repurposing GSK2018682 Confers Dual Antibacterial and Antibiofilm Activity against Staphylococcus aureus. [Abstract]2026 Feb 13;12(2):623-636. PMID: 41525229 -
iScience
Molecular mechanism of a triazole-containing inhibitor of Mycobacterium tuberculosis DNA gyrase. [Abstract]2024 Sep 16;27(10):110967. PMID: 39429773 -
Epigenetics Chromatin
2020 Aug 3;13(1):31. PMID: 32746900 -
Nanomedicine
Improving lipid nanoparticles delivery efficiency of macrophage cells by using immunomodulatory small molecules. [Abstract]2025 Feb 3:64:102809. PMID: 39904398 -
J Med Virol
Inhibitory effect on SARS-CoV-2 infection of neferine by blocking Ca2+ -dependent membrane fusion. [Abstract]2021 Oct;93(10):5825-5832. PMID: 34061377 -
Toxicol Appl Pharmacol
Drug screening reveals the mechanism of toyocamycin-induced apoptosis in triple-negative breast cancer organoids. [Abstract]2026 Jan:506:117659. PMID: 41314261 -
ACS Chem Biol
Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. [Abstract]2016 Dec 16;11(12):3400-3411. PMID: 27768280 -
ACS Chem Biol
2016 May 20;11(5):1245-54. PMID: 26863403 -
Bioorg Med Chem
Identification of a novel Aurora B inhibitor using the AI-driven drug screening and docking-based traditional screening. [Abstract]2025 Sep 27:131:118423. PMID: 41033076 -
SLAS Discov
An MRC-5 cell based high-throughput, high-content imaging assay to identify hits against Trypanosoma cruzi intracellular parasites. [Abstract]2026 Feb 17:39:100298. PMID: 41713554 -
SLAS Discov
Corelet™ platform: Precision high throughput screening for targeted drug discovery of biomolecular condensates. [Abstract]2025 Apr:32:100224. PMID: 40024444 -
SLAS Discov
2020 Sep;25(8):895-905. PMID: 32567455 -
Biol Reprod
Strong inhibition of neutrophil-sperm interaction in cattle by selective phosphatidylinositol 3-kinase inhibitors. [Abstract]2017 Nov 1;97(5):671-687. PMID: 29036279 -
J Comput Aided Mol Des
Discovery of potent and selective LRRK2 inhibitors with preserved activity against the G2019S mutant via multi-stage virtual screening. [Abstract]2026 Jun 6;40(1):139. PMID: 42249205 -
J Comput Aided Mol Des
Synergistic approach utilizing bioinformatics, machine learning, and traditional screening for the identification of novel CSK inhibitors targeting hepatocellular carcinoma. [Abstract]2025 Nov 8;39(2):119. PMID: 41204015 -
ChemistryOpen
Discovery of Potential GPRC5D Inhibitors through Virtual Screening and Molecular Dynamics Simulations. [Abstract]2025 Sep 7:e202500360. PMID: 40914945 -
J Am Soc Mass Spectrom
2026 Jan 7;37(1):8-12. PMID: 41324382 -
PLoS One
Antibiofilm and antibacterial activity of maslinic acid against Vancomycin-Resistant Enterococci (VRE). [Abstract]2026 Feb 10;21(2):e0342234. PMID: 41666236 -
Reprod Biol
Novel screening approach for stem cell selective inhibitors and their possible translational therapeutic potential for endometriosis. [Abstract]2025 Jan 11;25(1):100992. PMID: 39799809 -
Biochem Biophys Res Commun
Effects of intracellular iron overload on cell death and identification of potent cell death inhibitors. [Abstract]2018 Sep 3;503(1):297-303. PMID: 29890135 -
Biochem Biophys Res Commun
Effects of intracellular iron overload on cell death and identification of potent cell death inhibitors. [Abstract]2018 Sep 3;503(1):297-303. PMID: 29890135 -
In Vitro Cell Dev Biol Anim
The synergistic effect of 5Azadc and TSA on maintenance of pluripotency of chicken ESCs by overexpression of NANOG gene. [Abstract]2016 Apr;52(4):488-96. PMID: 26822431 -
Biol Open
2026 Feb 15;15(2):bio062380. PMID: 41601273 -
bioRxiv
EGFR INHIBITION PROMOTES ENTEROENDOCRINE CELL DIFFERENTIATION CONTRIBUTING TO TREATMENT-ASSOCIATED DIARRHEA. [Abstract]2026 Jun 5:2026.06.02.729650. PMID: 42282735 -
bioRxiv
Discovery of pan-ErbB inhibitors protecting from SARS-CoV-2 replication, inflammation, and lung injury by a drug repurposing screen. [Abstract]2023 May 10:2021.05.15.444128. PMID: 34159337 -
bioRxiv
Morphological Cell Profiling of SARS-CoV-2 Infection Identifies Drug Repurposing Candidates for COVID-19. [Abstract]2020 Dec 7:2020.05.27.117184. PMID: 32577649 -
Acta Med Iran
Precision Medicine Approach to Anaplastic Thyroid Cancer: Advances in Targeted Drug Therapy Based on Specific Signaling Pathways. [Abstract]2017 Mar;55(3):200-208. PMID: 28282720 -
J Biomol Screen
Multiparametric Phenotypic Screening System for Profiling Bioactive Compounds Using Human Fetal Hippocampal Neural Stem/Progenitor Cells. [Abstract]2015 Oct;20(9):1074-83. PMID: 26245650 -
Chem Biol
Systematic Mapping of Kinase Addiction Combinations in Breast Cancer Cells by Integrating Drug Sensitivity and Selectivity Profiles. [Abstract]2015 Aug 20;22(8):1144-55. PMID: 26211361
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