Target
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]
Ligand
BDBM77944
Substrate
MEK1 (K97R)
Meas. Tech.
Raf Activity Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
26±n/a nM
Comments
extracted
Citation
 Aversa, RJBarsanti, PABurger, MDillon, MPDipesa, AHu, CLou, YNishiguchi, GPan, YPolyakov, VRamurthy, SRico, ASetti, LSmith, ASubramanian, STaft, BTanner, HWan, LYusuff, 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:
BDBM77944
Synonyms:
US10245267, Example 381 | US10709712, Example 381 | US9694016, 381
Type:
Small organic molecule
Emp. Form.:
C23H27N5O3
Mol. Mass.:
421.4922
SMILES:
Cc1cc(C(=O)Nc2ccc(C)c(c2)-c2cc(N3CCOCC3)c(=O)n(C)c2)n(C)n1
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