PXD038375

PXD038375 is an original dataset announced via ProteomeXchange.

Title	Sulfamate acetamides as self-immolative electrophiles for covalent ligand- directed release chemistry - Pull Down data
Description	Electrophiles for covalent inhibitors that are suitable for in vivo administration are rare. While acrylamides are prevalent in FDA approved covalent drugs, chloroacetamides are considered too reactive for such purposes. We report sulfamate-based electrophiles that maintain chloroacetamide-like geometry, with tunable reactivity. We prepared sulfamate-based inhibitors for BTK and Pin1 displaying high potency, low intrinsic reactivity and high stability. Finally, we show that sulfamate acetamides can be used for covalent ligand-directed release (CoLDR) chemistry, both for the generation of ‘turn-on’ probes as well as for traceless ligand-directed site-specific labeling of proteins. Using alkyne-modified sulfamate-based probes, we performed proteomics studies with samples enriched with probe-bound proteins, and the sulfamate probes displayed comparable or improved selectivity compared to the parent compounds. Further characterization of off-target using IsoDTB-ABPP confirmed this result. This submission contains the pull down data.
HostingRepository	PRIDE
AnnounceDate	2023-11-14
AnnouncementXML	Submission_2023-11-14_08:44:01.517.xml
DigitalObjectIdentifier	https://dx.doi.org/10.6019/PXD038375
ReviewLevel	Peer-reviewed dataset
DatasetOrigin	Original dataset
RepositorySupport	Supported dataset by repository
PrimarySubmitter	Ronen Gabizon
SpeciesList	scientific name: Homo sapiens (Human); NCBI TaxID: 9606;
ModificationList	acetylated residue; monohydroxylated residue; iodoacetamide derivatized residue
Instrument	Orbitrap Exploris 240

Revision	Datetime	Status	ChangeLog Entry
0	2022-11-26 03:38:59	ID requested
1	2023-03-11 11:16:47	announced
⏵ 2	2023-11-14 08:44:08	announced	2023-11-14: Updated project metadata.

10.6019/PXD038375;

Reddi RN, Rogel A, Gabizon R, Rawale DG, Harish B, Marom S, Tivon B, Arbel YS, Gurwicz N, Oren R, David K, Liu J, Duberstein S, Itkin M, Malitsky S, Barr H, Katz BZ, Herishanu Y, Shachar I, Shulman Z, London N, Sulfamate Acetamides as Self-Immolative Electrophiles for Covalent Ligand-Directed Release Chemistry. J Am Chem Soc, 145(6):3346-3360(2023) [pubmed]

submitter keyword: Human, Pull down, Chemical Probes

Nir London
contact affiliation	Department of Chemical and Structural Biology, Weizmann Institute of Science, Rehovot 76100, Israel
contact email	Nir.London@weizmann.ac.il
lab head
Ronen Gabizon
contact affiliation	Department of Chemical and Structural Biology, Weizmann Institute of Science
contact email	ronen.gabizon@weizmann.ac.il
dataset submitter

Dataset FTP location NOTE: Most web browsers have now discontinued native support for FTP access within the browser window. But you can usually install another FTP app (we recommend FileZilla) and configure your browser to launch the external application when you click on this FTP link. Or otherwise, launch an app that supports FTP (like FileZilla) and use this address: ftp://ftp.pride.ebi.ac.uk/pride/data/archive/2023/03/PXD038375

PRIDE project URI

• PRIDE
  1. PXD038375
     1. Label: PRIDE project
     2. Name: Sulfamate acetamides as self-immolative electrophiles for covalent ligand- directed release chemistry - Pull Down data