ArticleAngewandte Chemie (International ed. in English)2015
Fragment screening and druggability assessment for the CBP/p300 KIX domain through protein-observed 19F NMR spectroscopy.
Article in Angewandte Chemie (International ed. in English), 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 30 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
30 citing papers in PubMed.
- In Silico Druggability Assessment ofAntibiotics (Basel, Switzerland) · 2026Article
- Metabolic Probing of Sialylated Glycoconjugates with Fluorine-Selenol Displacement Reaction (FSeDR).ACS bio & med chem Au · 2025Article
- Perspectives on Applications ofMolecules (Basel, Switzerland) · 2024Review
- Garcinolic Acid Distinguishes Between GACKIX Domains and Modulates Interaction Networks.Chembiochem : a European journal of chemical biology · 2023Article
- CirculatoryGenes · 2021Article
- Review
- Fragment-Based Ligand Discovery Using Protein-ObservedJournal of chemical education · 2021Article
- Steric-Free Bioorthogonal Labeling of Acetylation Substrates Based on a Fluorine-Thiol Displacement Reaction.Journal of the American Chemical Society · 2021Article
- Applications of Solution NMR in Drug Discovery.Molecules (Basel, Switzerland) · 2021Review
- What turns CREB on? And off? And why does it matter?Cellular and molecular life sciences : CMLS · 2020Review
- New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development.Organic & biomolecular chemistry · 2020Article
- SAR by (Protein-Observed)Accounts of chemical research · 2019Review
- Collision-Induced Unfolding Reveals Unique Fingerprints for Remote Protein Interaction Sites in the KIX Regulation Domain.Journal of the American Society for Mass Spectrometry · 2019Article
- Covalent Chemical Cochaperones of the p300/CBP GACKIX Domain.Chembiochem : a European journal of chemical biology · 2018Article
- Dual Labeling of the CBP/p300 KIX Domain forChembiochem : a European journal of chemical biology · 2018Article
- Approaches to target tractability assessment - a practical perspective.MedChemComm · 2018Review
- Observing enzyme ternary transition state analogue complexes byChemical science · 2017Article
- ProteinJournal of biomolecular NMR · 2017Article
- BET Bromodomain Inhibitors with One-Step Synthesis Discovered from Virtual Screen.Journal of medicinal chemistry · 2017Article
- A cell is more than the sum of its (dilute) parts: A brief history of quinary structure.Protein science : a publication of the Protein Society · 2017Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
Abstract
(19)F NMR spectroscopy of labeled proteins is a sensitive method for characterizing structure, conformational dynamics, higher-order assembly, and ligand binding. Fluorination of aromatic side chains has been suggested as a labeling strategy for small-molecule ligand discovery for protein-protein interaction interfaces. Using a model transcription factor binding domain of the CREB binding protein (CBP)/p300, KIX, we report the first full small-molecule screen using protein-observed (19)F NMR spectroscopy. Screening of 508 compounds and validation by (1)H-(15)N HSQC NMR spectroscopy led to the identification of a minimal pharmacaphore for the MLL-KIX interaction site. Hit rate analysis for the CREB-KIX and MLL-KIX sites provided a metric to assess the ligandability or "druggability" of each interface informing future medicinal chemistry efforts. The structural information from the simplified spectra and data collection speed, affords a new screening tool for analysis of protein interfaces and discovery of small molecules.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.