№ files_lp_3_process_7_052915
Supplementary dataset reporting physicochemical properties of a disulfide compound library and mass spectrometry screening results for binding to the hTS C195S-Y202C protein, including peptide-level identification after trypsin digestion.
Year: Not specified
Type of document: Supplementary scientific data
Subject: Mass spectrometry screening of disulfide compounds
Analyzed protein: hTS C195S-Y202C
Techniques: MALDI MS; ESI-QToF MS; ESI MS; Trypsin digestion
Content: Compound library properties and screening results
Compounds analyzed: A1–A55; TCP
Chemical identifiers: NCI codes; ZINC codes
Measured parameters: Molecular weight (MW); Log P; Number of heavy atoms
Peptide sequences: IIMCAWNPR; RIIMCAWNPR; DLPLMALPPSHALCQFCVVNSELSCQLYQR
Detection criteria: Replacement of carbamidomethylic group (56 Da) with thiol-derived mass from disulphides
Binding sites: Cys 180; Cys 199; Cys 202; Cys 210
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