Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM221685
Substrate
n/a
Meas. Tech.
Amplified Luminescence Proximity Homogeneous Assay
IC50
3.90±n/a nM
Citation
 Huang, S; Jin, X; Liu, Z; Poon, D; Tellew, J; Wan, Y; Wang, X; Xie, Y Compounds and compositions as protein kinase inhibitors US Patent  US9593100 Publication Date 3/14/2017 
Target
Name:
Serine/threonine-protein kinase B-raf
Synonyms:
B-RAF | B-Raf Protein Kinase | B-Raf proto-oncogene serine/threonine-protein kinase | BRAF | BRAF1 | BRAF_HUMAN | RAFB1 | p94 | v-Raf murine sarcoma viral oncogene homolog B1
Type:
Serine/threonine-protein kinase
Mol. Mass.:
84446.00
Organism:
Homo sapiens (Human)
Description:
P15056
Residue:
766
Sequence:
MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATVKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH
  
Inhibitor
Name:
BDBM221685
Synonyms:
US10568884, Cpd 6 | US9314464, 6 | US9593100, Compound 6 | USRE49556, Compound 6
Type:
Small organic molecule
Emp. Form.:
C22H27F2N7O4S
Mol. Mass.:
523.556
SMILES:
COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1c(F)ccc(NS(C)(=O)=O)c1F)C(C)C |r,wD:5.5,(-7.74,6.48,;-6.41,5.71,;-5.08,6.48,;-5.08,8.02,;-3.74,5.71,;-3.74,4.17,;-5.08,3.4,;-2.41,3.4,;-2.41,1.86,;-1.08,1.09,;.26,1.86,;1.59,1.09,;1.59,-.45,;.26,-1.22,;-1.08,-.45,;.26,-2.76,;-.99,-3.66,;-.51,-5.13,;1.03,-5.13,;1.5,-3.66,;2.99,-3.27,;3.39,-1.78,;2.3,-.69,;4.88,-1.38,;5.97,-2.47,;5.57,-3.96,;6.66,-5.05,;6.26,-6.53,;5.86,-8.02,;4.77,-6.13,;7.74,-6.93,;4.08,-4.36,;3.68,-5.84,;-1.28,-6.46,;-.51,-7.8,;-2.82,-6.46,)|
Structure:
Search PDB for entries with ligand similarity: