Reaction Details  Report a problem with these data
Target
Ribosomal protein S6 kinase alpha-3
Ligand
BDBM50021680
Substrate
n/a
Meas. Tech.
ChEMBL_1368329 (CHEMBL868675)
IC50
1400±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:
BDBM50021680
Synonyms:
CHEMBL3297946
Type:
Small organic molecule
Emp. Form.:
C21H17FN2O3
Mol. Mass.:
364.3697
SMILES:
COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1 |(11.58,-23.5,;13.13,-23.5,;13.9,-22.16,;13.13,-20.83,;13.9,-19.49,;15.44,-19.5,;16.21,-18.17,;17.75,-18.17,;18.66,-16.92,;20.13,-17.4,;21.45,-16.62,;22.79,-17.39,;22.8,-18.94,;21.46,-19.72,;21.47,-21.26,;20.13,-22.03,;18.8,-21.25,;20.13,-23.57,;21.47,-24.34,;22.81,-23.56,;22.8,-22.02,;24.13,-21.25,;25.47,-22.01,;20.12,-18.94,;18.66,-19.41,;16.21,-20.83,;15.45,-22.16,)|
Structure:
Search PDB for entries with ligand similarity: