PDK1-IN-RS2

• CAT Number: I017230
• CAS Number: 1643958-89-7
• Molecular Formula: C15H9ClN2O2S3
• Molecular Weight: 380.89
• Purity: ≥95%
• Synonyms: N-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-sulfonamide
• InChI: InChI=1S/C15H9ClN2O2S3/c16-10-5-6-11-13(8-10)22-15(17-11)18-23(19,20)14-7-9-3-1-2-4-12(9)21-14/h1-8H,(H,17,18)
• InChIKey: MZAVPBQCWWIYEQ-UHFFFAOYSA-N
• SMILES: C1=CC=C2C(=C1)C=C(S2)S(=O)(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

PDK1-IN-RS2 is a mimic of peptide docking motif (PIFtide) and is a substrate-selective PDK1 inhibitor with a Kd of 9 μM. PDK1-IN-RS2 suppresses the activation of the downstream kinases S6K1 by PDK1[1].
PDK1-IN-RS2 stimulates the catalytic activity of PDK1 toward a peptide substrate by sixfold. The sulfonyl group of PDK1-IN-RS2 interacts with Arg131 through a salt bridge, because the sulfonamide is likely ionized under the crystallization conditions[1].

Reference

[1]. Rettenmaier TJ, et al. A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1. Proc Natl Acad Sci U S A. 2014 Dec 30;111(52):18590-5.
 [Content Brief]