Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50547984
Substrate
n/a
Meas. Tech.
ChEMBL_2019489 (CHEMBL4673067)
Ki
340±n/a nM
Citation
 Beveridge, RE; Wallweber, HA; Ashkenazi, A; Beresini, M; Clark, KR; Gibbons, P; Ghiro, E; Kaufman, S; Larivée, A; Leblanc, M; Leclerc, JP; Lemire, A; Ly, C; Rudolph, J; Schwarz, JB; Srivastava, S; Wang, W; Zhao, L; Braun, MG Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1? Inhibitory Activity. ACS Med Chem Lett 11:2389-2396 (2020) [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:
BDBM50547984
Synonyms:
CHEMBL4753081
Type:
Small organic molecule
Emp. Form.:
C28H27Cl2F3N6O3S
Mol. Mass.:
655.519
SMILES:
Cl.Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:37.38,wD:34.34,(59.73,-45.54,;69.53,-50.16,;69.53,-48.62,;70.85,-47.85,;70.85,-46.32,;72.18,-45.55,;72.18,-44.01,;73.52,-46.32,;74.85,-45.55,;74.85,-44,;73.52,-43.24,;76.18,-43.23,;77.52,-44,;77.52,-45.55,;78.86,-46.32,;80.18,-45.54,;79.4,-44.2,;80.95,-44.19,;81.52,-46.31,;81.51,-47.86,;82.85,-48.63,;82.85,-50.17,;84.19,-47.86,;84.19,-46.3,;82.85,-45.53,;82.84,-43.99,;76.18,-46.32,;76.18,-47.86,;69.51,-45.55,;69.52,-44.02,;68.19,-43.25,;66.86,-44.02,;66.87,-45.55,;65.54,-46.32,;64.2,-45.55,;64.2,-44.02,;62.87,-43.25,;61.54,-44.02,;60.2,-43.24,;61.53,-45.56,;62.87,-46.33,;68.19,-46.31,;68.18,-47.85,)|
Structure:
Search PDB for entries with ligand similarity: