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Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50547987
Substrate
n/a
Meas. Tech.
ChEMBL_2019489 (CHEMBL4673067)
Ki
55±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:
BDBM50547987
Synonyms:
CHEMBL4760343
Type:
Small organic molecule
Emp. Form.:
C26H27Cl2FN6O3S2
Mol. Mass.:
625.565
SMILES:
Cl.N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)Cc2ccccc2)c1F |r,wU:2.0,wD:5.7,(58.19,-8.97,;58.91,-6.74,;60.41,-7.06,;61.45,-5.92,;62.95,-6.24,;63.42,-7.71,;62.4,-8.85,;60.89,-8.53,;64.93,-8.03,;65.96,-6.89,;65.48,-5.43,;66.51,-4.28,;68.01,-4.61,;68.48,-6.06,;69.88,-6.68,;69.73,-8.22,;68.22,-8.54,;67.45,-7.2,;71.22,-5.91,;71.22,-4.37,;72.55,-6.68,;73.89,-5.92,;73.89,-4.37,;72.55,-3.6,;75.22,-3.6,;76.55,-4.36,;76.56,-5.91,;77.89,-6.68,;79.22,-5.9,;78.44,-4.57,;79.99,-4.56,;80.56,-6.68,;81.89,-5.91,;83.22,-6.68,;84.55,-5.91,;84.56,-4.37,;83.21,-3.6,;81.89,-4.37,;75.22,-6.69,;75.22,-8.23,)|
Structure:
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