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Target
Ribosomal protein S6 kinase alpha-3
Ligand
BDBM50021665
Substrate
n/a
Meas. Tech.
ChEMBL_1368328 (CHEMBL868674)
IC50
6500±n/a nM
Citation
 Costales, A; Mathur, M; Ramurthy, S; Lan, J; Subramanian, S; Jain, R; Atallah, G; Setti, L; Lindvall, M; Appleton, BA; Ornelas, E; Feucht, P; Warne, B; Doyle, L; Basham, SE; Aronchik, I; Jefferson, AB; Shafer, CM 2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors. Bioorg Med Chem Lett 24:1592-6 (2014) [PubMed]  Article
Target
Name:
Ribosomal protein S6 kinase alpha-3
Synonyms:
90 kDa ribosomal protein S6 kinase 3 | ISPK-1 | ISPK1 | KS6A3_HUMAN | MAP kinase-activated protein kinase 1b | MAPKAPK1B | RPS6KA3 | RPS6KA3(Kin.Dom.1 - N-terminal) | RSK2 | Ribosomal S6 kinase 2 (RSK2) | Ribosomal protein S6 kinase | Ribosomal protein S6 kinase alpha-1/alpha-3 | Ribosomal protein S6 kinase alpha-3 (RSK2) | Ribosomal protein S6 kinase alpha-3 (RSK3) | S6K-alpha 3 | insulin-stimulated protein kinase 1 | p90 ribosomal s6 kinase (RSK2) | p90-RSK 3 | p90RSK | pp90RSK2
Type:
Serine/threonine-protein kinase
Mol. Mass.:
83740.03
Organism:
Homo sapiens (Human)
Description:
The human RSK2 sequence differed from the Genbank entry NM_004586 at one residue, V45G. The protein was cloned and purified from baculovirus expression system.
Residue:
740
Sequence:
MPLAQLADPWQKMAVESPSDSAENGQQIMDEPMGEEEINPQTEEVSIKEIAITHHVKEGHEKADPSQFELLKVLGQGSFGKVFLVKKISGSDARQLYAMKVLKKATLKVRDRVRTKMERDILVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDLFTRLSKEVMFTEEDVKFYLAELALALDHLHSLGIIYRDLKPENILLDEEGHIKLTDFGLSKESIDHEKKAYSFCGTVEYMAPEVVNRRGHTQSADWWSFGVLMFEMLTGTLPFQGKDRKETMTMILKAKLGMPQFLSPEAQSLLRMLFKRNPANRLGAGPDGVEEIKRHSFFSTIDWNKLYRREIHPPFKPATGRPEDTFYFDPEFTAKTPKDSPGIPPSANAHQLFRGFSFVAITSDDESQAMQTVGVHSIVQQLHRNSIQFTDGYEVKEDIGVGSYSVCKRCIHKATNMEFAVKIIDKSKRDPTEEIEILLRYGQHPNIITLKDVYDDGKYVYVVTELMKGGELLDKILRQKFFSEREASAVLFTITKTVEYLHAQGVVHRDLKPSNILYVDESGNPESIRICDFGFAKQLRAENGLLMTPCYTANFVAPEVLKRQGYDAACDIWSLGVLLYTMLTGYTPFANGPDDTPEEILARIGSGKFSLSGGYWNSVSDTAKDLVSKMLHVDPHQRLTAALVLRHPWIVHWDQLPQYQLNRQDAPHLVKGAMAATYSALNRNQSPVLEPVGRSTLAQRRGIKKITSTAL
  
Inhibitor
Name:
BDBM50021665
Synonyms:
CHEMBL3297948
Type:
Small organic molecule
Emp. Form.:
C22H19FN2O4
Mol. Mass.:
394.3957
SMILES:
COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1OC |(11.58,-23.48,;13.12,-23.48,;13.89,-22.15,;13.12,-20.81,;13.89,-19.48,;15.43,-19.49,;16.2,-18.15,;17.74,-18.16,;18.65,-16.91,;20.11,-17.39,;21.44,-16.61,;22.78,-17.38,;22.78,-18.93,;21.45,-19.7,;21.45,-21.25,;20.12,-22.01,;18.79,-21.24,;20.12,-23.55,;21.45,-24.32,;22.79,-23.55,;22.79,-22.01,;24.12,-21.23,;25.45,-22,;20.11,-18.93,;18.65,-19.4,;16.2,-20.81,;15.44,-22.15,;16.21,-23.48,;15.44,-24.81,)|
Structure:
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