Reaction Details Report a problem with these data
Target
Dual specificity mitogen-activated protein kinase kinase 1 [K97R]
Ligand
BDBM323164
Substrate
n/a
Meas. Tech.
Radioactive Binding Assay
IC50
5.70±n/a nM
Citation
 Bock, MG; Moebitz, H; Panigrahi, SK; Poddutoori, R; Samajdar, S Compounds and compositions as inhibitors of MEK US Patent  US9629836 Publication Date 4/25/2017 
Target
Name:
Dual specificity mitogen-activated protein kinase kinase 1 [K97R]
Synonyms:
Dual specificity mitogen-activated protein kinase kinase 1 (MEK1)(K97R) | MAP2K1 | MEK1 | MEK1 (K97R) | MP2K1_HUMAN | PRKMK1
Type:
n/a
Mol. Mass.:
43467.04
Organism:
Homo sapiens (Human)
Description:
Biotinylated full length MEK1 with an inactivating K97R ATP binding site mutation.
Residue:
393
Sequence:
MPKKKPTPIQLNPAPDGSAVNGTSSAETNLEALQKKLEELELDEQQRKRLEAFLTQKQKVGELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARRLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFGCQVEGDAAETPPRPRTPGRPLSSYGMDSRPPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGLNQPSTPTHAAGV
  
Inhibitor
Name:
BDBM323164
Synonyms:
US10011599, Example 88 | US9629836, 88
Type:
Small organic molecule
Emp. Form.:
C29H26F2N6O4
Mol. Mass.:
560.5513
SMILES:
COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(CC4F)C(=O)CO)c(C)nc3cnc2cc1F |r|
Structure:
Search PDB for entries with ligand similarity: