Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSerine/threonine-protein kinase B-raf
LigandBDBM50303120
Substrate/Competitorn/a
Meas. Tech.ChEMBL_597720 (CHEMBL1043507)
IC50 75.90±n/a nM
Citation Di Grandi, MJBerger, DMHopper, DWZhang, CDutia, MDunnick, ALTorres, NLevin, JIDiamantidis, GZapf, CWBloom, JDHu, YPowell, DWojciechowicz, DCollins, KFrommer, E Novel pyrazolopyrimidines as highly potent B-Raf inhibitors. Bioorg Med Chem Lett19:6957-61 (2009) [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:
BDBM50303120
n/a
NameBDBM50303120
Synonyms:1-(3-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octan-8-yl)propan-2-one | CHEMBL571971
TypeSmall organic molecule
Emp. Form.C28H27N7O
Mol. Mass.477.5603
SMILESCC(=O)CN1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |THB:12:10:4:6.7,(13.66,1.58,;12.31,2.32,;12.28,3.86,;10.99,1.53,;11.02,-.01,;10.48,-1.47,;8.96,-2.16,;10.33,-2.12,;11.53,-1.26,;13.07,-2.1,;12.52,-3.58,;12.08,-2.39,;12.53,-5.11,;11.2,-5.88,;11.2,-7.43,;12.53,-8.2,;13.86,-7.43,;15.34,-7.9,;16.25,-6.65,;15.34,-5.4,;13.86,-5.88,;17.78,-6.65,;18.55,-7.98,;20.09,-7.98,;20.86,-6.65,;20.08,-5.31,;18.54,-5.32,;15.4,-9.44,;14.1,-10.26,;14.16,-11.8,;15.53,-12.52,;16.83,-11.7,;18.33,-12.11,;19.18,-10.82,;18.22,-9.61,;16.77,-10.15,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: