Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSerine/threonine-protein kinase B-raf
LigandBDBM50330920
Substrate/Competitorn/a
Meas. Tech.ChEMBL_685663 (CHEMBL1285565)
IC50 0.500000±n/a nM
Citation Wang, XBerger, DMSalaski, EJTorres, NDutia, MHanna, CHu, YLevin, JIPowell, DWojciechowicz, DCollins, KFrommer, ELucas, J Indazolylpyrazolopyrimidine as highly potent B-Raf inhibitors with in vivo activity. J Med Chem53:7874-8 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Serine/threonine-protein kinase B-raf
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:
MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEH
IEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTV
TSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDS
LKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRK
TFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPI
PQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQR
DRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSP
GPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDV
AVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHH
LHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATV
KSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNIN
NRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARS
LPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50330920
n/a
NameBDBM50330920
Synonyms:3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine | CHEMBL1276183
TypeSmall organic molecule
Emp. Form.C30H25FN8
Mol. Mass.516.5715
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c2[nH]ncc12 |r,wU:3.3,5.4,(28.5,5.92,;28.51,4.38,;27.17,3.6,;27.18,2.06,;28.27,3.16,;29.85,3.62,;29.85,2.08,;28.52,1.3,;28.53,-.23,;29.86,-1,;29.87,-2.54,;28.53,-3.31,;27.2,-2.55,;27.19,-1.01,;28.54,-4.85,;27.21,-5.62,;27.21,-7.17,;28.55,-7.94,;29.88,-7.16,;31.36,-7.64,;32.27,-6.39,;31.35,-5.13,;29.88,-5.61,;33.8,-6.38,;34.57,-7.72,;36.11,-7.72,;36.89,-6.39,;36.11,-5.05,;34.57,-5.05,;31.83,-9.11,;33.33,-9.42,;33.81,-10.88,;32.78,-12.04,;33.26,-13.5,;31.27,-11.72,;30.03,-12.61,;28.79,-11.71,;29.27,-10.25,;30.8,-10.25,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: