Angélica Martín-Priego, Federico Movilla, Carmen Salto-Girón, Guillermo Jiménez-Jiménez, M. Dolores Girón, Juan A. González-Vera, Angel Orte. “AI-assisted multiplexing of kinase activity in cellulo.” ChemRxiv (). https://doi.org/10.26434/chemrxiv.15006835/v2

Values presented only in fluorescence-spectroscopy or fluorescence-lifetime-imaging-microscopy plots or images were not transcribed

Triangulene-labelled peptides
Analytical HPLC-MS conditions Flow rate 5 mL min⁻¹; 0 % → 100 % formic acid in acetonitrile over 3 min
HPLC-MS, Akt1-KU530-OH, C₁₀₃H₁₃₆N₃₁O₂₃S⁺ tR 1.91 min; [M] calculated 2208.11; [M+H]⁺ found 442.6
HPLC-MS, Akt1-KU530-P, C₁₀₃H₁₃₇N₃₁O₂₆PS⁺ tR 1.79 min; [M] calculated 2286.08; [M+H]⁺ found 458.2
HPLC-MS, Akt1-KU530-Pep1-OH, C₁₉₃H₂₅₆N₅₁O₄₄S⁺ tR 3.24 min; [M] calculated 4028.15; [M+H]⁺ found 576.5
HPLC-MS, Akt1-KU530-Pep1-Ala, C₁₉₂H₂₅₄N₅₁O₄₄S⁺ tR 2.23 min; [M] calculated 4012.15; [M+H]⁺ found 669.7
HPLC-MS, Src-KU560-OH, C₇₉H₉₉N₁₄O₂₃S⁺ tR 3.87 min; [M] calculated 1644.80; [M+H]⁺ found 834.2
HPLC-MS, Src-KU560-P, C₇₉H₁₀₀N₁₄O₂₆PS⁺ tR 5.47 min; [M] calculated 1724.77; [M+H]⁺ found 874.2
HPLC-MS, Src-KU560-Pep1-OH, C₁₆₈H₂₁₇N₃₄O₄₅S⁺ tR 2.82 min; [M] calculated 3464.84; [M+H]⁺ found 862.34
HPLC-MS, Src-KU560-Pep1-Ala, C₁₆₂H₂₁₃N₃₄O₄₄S⁺ tR 2.12 min; [M] calculated 3372.74; [M+H]⁺ found 671.65
SI, p. 4
KU530- and KU560-labelled peptide substrates, 5 µM in PBS at pH 7.4 with 100 mM NaCl
Fluorescence, Akt1-KU530-OH Fold-intensity increase 3.5 ± 0.9; amplitude-weighted average lifetime 6.19 ± 0.05 ns
Fluorescence, Akt1-KU530-P Fold-intensity increase 1.79; amplitude-weighted average lifetime 14.62 ± 0.1 ns
Fluorescence, Src-KU560-OH Fold-intensity increase 1.25 ± 0.01; amplitude-weighted average lifetime 15.31 ± 0.02 ns
Fluorescence, Src-KU560-P Fold-intensity increase 2.23; amplitude-weighted average lifetime 14.97 ± 0.02 ns