Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSerine/threonine-protein kinase B-raf
LigandBDBM50330922
Substrate/Competitorn/a
Meas. Tech.ChEMBL_685663 (CHEMBL1285565)
IC50 0.380000±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:
BDBM50330922
n/a
NameBDBM50330922
Synonyms:7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine | CHEMBL1276178
TypeSmall organic molecule
Emp. Form.C30H24F2N8
Mol. Mass.534.562
SMILESCN1C[C@@H]2C[C@H]1CN2c1cc(F)c(cc1F)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wU:3.3,5.4,(12.11,-32.8,;12.12,-34.34,;10.78,-35.12,;10.8,-36.66,;11.88,-35.56,;13.46,-35.1,;13.47,-36.64,;12.13,-37.42,;12.14,-38.95,;10.8,-39.73,;10.81,-41.27,;9.48,-42.05,;12.15,-42.03,;13.48,-41.26,;13.48,-39.72,;14.81,-38.95,;12.16,-43.57,;10.83,-44.34,;10.82,-45.89,;12.16,-46.66,;13.49,-45.88,;14.97,-46.36,;15.88,-45.11,;14.97,-43.85,;13.49,-44.33,;17.42,-45.1,;18.19,-46.44,;19.73,-46.44,;20.5,-45.11,;19.72,-43.77,;18.18,-43.77,;15.44,-47.83,;16.95,-48.14,;17.43,-49.6,;16.39,-50.76,;14.88,-50.44,;13.64,-51.33,;12.4,-50.42,;12.88,-48.97,;14.42,-48.97,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: