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Target
Serine/threonine-protein kinase B-raf [V600E]
Ligand
BDBM139494
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.5±n/a
IC50
125±n/a nM
Comments
extracted
Citation
 Stadtmueller, H Azaindolylphenyl sulfonamides as serine/threonine kinase inhibitors US Patent  US8889684 Publication Date 11/18/2014 
Target
Name:
Serine/threonine-protein kinase B-raf [V600E]
Synonyms:
B-RAF V600E | B-Raf (V600E) | B-Raf Protein Kinase Mutant (V600E) | B-Raf proto-oncogene serine/threonine-protein kinase | BRAF | BRAF (V600E) | BRAF mutant V600E | BRAF1 | BRAF_HUMAN | P15056 | Protein mono-ADP-ribosyltransferase (PARP3) | RAF serine/threonine protein kinase (V600E) | RAFB1 | Serine/threonine-protein kinase B-raf (V600E) | Serine/threonine-protein kinase B-raf (V600E) | Serine/threonine-protein kinase B-raf [V600E] | V-RAF murine sarcoma viral oncogene homologue B1 mutant (BRAF V600E)
Type:
n/a
Mol. Mass.:
84474.98
Organism:
Homo sapiens (Human)
Description:
P15056 V600E
Residue:
766
Sequence:
MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH
  
Inhibitor
Name:
BDBM139494
Synonyms:
US8889684, I-4
Type:
Small organic molecule
Emp. Form.:
C29H34F2N6O4S
Mol. Mass.:
600.68
SMILES:
CCCS(=O)(=O)Nc1ccc(F)c(c1F)-n1cc(-c2cncc(OC)c2)c2nc(ccc12)N1CCN(CCOC)CC1 |(-9.1,-5.54,;-7.76,-6.31,;-6.43,-5.54,;-5.1,-6.31,;-5.1,-7.85,;-6.43,-7.08,;-3.76,-5.54,;-2.43,-6.31,;-2.43,-7.85,;-1.09,-8.62,;.24,-7.85,;1.57,-8.62,;.24,-6.31,;-1.09,-5.54,;-1.09,-4,;1.57,-5.54,;3.04,-6.02,;3.94,-4.77,;5.43,-5.17,;5.83,-6.66,;7.32,-7.06,;8.41,-5.97,;8.01,-4.48,;9.1,-3.39,;8.7,-1.91,;6.52,-4.08,;3.04,-3.53,;3.36,-2.02,;2.21,-.99,;.75,-1.47,;.43,-2.97,;1.57,-4,;2.61,.5,;1.52,1.58,;1.92,3.07,;3.41,3.47,;3.81,4.96,;2.72,6.05,;3.12,7.54,;2.03,8.62,;4.5,2.38,;4.1,.89,)|
Structure:
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