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Target
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]
Ligand
BDBM81185
Substrate
MEK1 (K97R)
Meas. Tech.
Raf Activity Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
0.10±n/a nM
Comments
extracted
Citation
 Aversa, RJ; Barsanti, PA; Burger, M; Dillon, MP; Dipesa, A; Hu, C; Lou, Y; Nishiguchi, G; Pan, Y; Polyakov, V; Ramurthy, S; Rico, A; Setti, L; Smith, A; Subramanian, S; Taft, B; Tanner, H; Wan, L; Yusuff, N Biaryl amide compounds as kinase inhibitors US Patent  US9694016 Publication Date 7/4/2017 
Target
Name:
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]
Synonyms:
C-RAF | Proto-oncogene C-Raf (C-Raf FL) | RAF | RAF proto-oncogene serine/threonine-protein kinase | RAF1 | RAF1_HUMAN
Type:
n/a
Mol. Mass.:
73012.38
Organism:
Homo sapiens (Human)
Description:
P04049[Y340E,Y341E]
Residue:
648
Sequence:
MEHIQGAWKTISNGFGFKDAVFDGSSCISPTIVQQFGYQRRASDDGKLTDPSKTSNTIRVFLPNKQRTVVNVRNGMSLHDCLMKALKVRGLQPECCAVFRLLHEHKGKKARLDWNTDAASLIGEELQVDFLDHVPLTTHNFARKTFLKLAFCDICQKFLLNGFRCQTCGYKFHEHCSTKVPTMCVDWSNIRQLLLFPNSTIGDSGVPALPSLTMRRMRESVSRMPVSSQHRYSTPHAFTFNTSSPSSEGSLSQRQRSTSTPNVHMVSTTLPVDSRMIEDAIRSHSESASPSALSSSPNNLSPTGWSQPKTPVPAQRERAPVSGTQEKNKIRPRGQRDSSEEWEIEASEVMLSTRIGSGSFGTVYKGKWHGDVAVKILKVVDPTPEQFQAFRNEVAVLRKTRHVNILLFMGYMTKDNLAIVTQWCEGSSLYKHLHVQETKFQMFQLIDIARQTAQGMDYLHAKNIIHRDMKSNNIFLHEGLTVKIGDFGLATVKSRWSGSQQVEQPTGSVLWMAPEVIRMQDNNPFSFQSDVYSYGIVLYELMTGELPYSHINNRDQIIFMVGRGYASPDLSKLYKNCPKAMKRLVADCVKKVKEERPLFPQILSSIELLQHSLPKINRSASEPSLHRAAHTEDINACTLTTSPRLPVF
  
Inhibitor
Name:
BDBM81185
Synonyms:
US10245267, Example 484 | US10709712, Example 484 | US9694016, 484
Type:
Small organic molecule
Emp. Form.:
C25H25F2N3O3
Mol. Mass.:
453.4811
SMILES:
Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
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