Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50330908
Substrate
n/a
Meas. Tech.
ChEMBL_685663 (CHEMBL1285565)
IC50
2±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 Chem 53:7874-8 (2010) [PubMed]  Article 
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:
BDBM50330908
Synonyms:
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine | CHEMBL1276175
Type:
Small organic molecule
Emp. Form.:
C31H25F3N8
Mol. Mass.:
566.579
SMILES:
CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1C(F)(F)F)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wU:3.3,5.4,(34.33,-13.96,;34.34,-15.5,;33,-16.29,;33.02,-17.82,;34.1,-16.72,;35.68,-16.27,;35.69,-17.81,;34.35,-18.58,;34.36,-20.12,;35.7,-20.88,;35.7,-22.42,;34.37,-23.2,;33.03,-22.44,;33.02,-20.9,;31.68,-20.14,;31.67,-18.59,;30.35,-20.92,;30.34,-19.36,;34.38,-24.73,;33.05,-25.5,;33.04,-27.05,;34.38,-27.82,;35.71,-27.05,;37.19,-27.53,;38.1,-26.27,;37.19,-25.02,;35.71,-25.5,;39.64,-26.27,;40.41,-27.61,;41.95,-27.61,;42.72,-26.27,;41.94,-24.93,;40.4,-24.94,;37.66,-28.99,;39.17,-29.31,;39.65,-30.77,;38.61,-31.92,;37.11,-31.6,;35.86,-32.5,;34.62,-31.59,;35.1,-30.13,;36.64,-30.14,)|
Structure:
Search PDB for entries with ligand similarity: