Gee, Clifford T. published the artcileFragment Screening and Druggability Assessment for the CBP/p300 KIX Domain through Protein-Observed 19F NMR Spectroscopy, COA of Formula: C8H7ClO3, the publication is Angewandte Chemie, International Edition (2015), 54(12), 3735-3739, database is CAplus and MEDLINE.
19F 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-mol. 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-mol. screen using protein-observed 19F NMR spectroscopy. Screening of 508 compounds and validation by 1H-15N HSQC NMR spectroscopy led to the identification of a minimal pharmacaphore for the MLL-KIX interaction site. Hit rate anal. for the CREB-KIX and MLL-KIX sites provided a metric to assess the ligandability or “druggability” of each interface informing future medicinal chem. efforts. The structural information from the simplified spectra and data collection speed, affords a new screening tool for anal. of protein interfaces and discovery of small mols.
Angewandte Chemie, International Edition published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, COA of Formula: C8H7ClO3.
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https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics