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Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50514785
Substrate
n/a
Meas. Tech.
ChEMBL_1858522 (CHEMBL4359251)
Kd
2.4±n/a nM
Citation
 Han, XR; Chen, L; Wei, Y; Yu, W; Chen, Y; Zhang, C; Jiao, B; Shi, T; Sun, L; Zhang, C; Xu, Y; Lee, MR; Luo, Y; Plewe, MB; Wang, J Discovery of Selective Small Molecule Degraders of BRAF-V600E. J Med Chem 63:4069-4080 (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:
BDBM50514785
Synonyms:
CHEMBL4443903
Type:
Small organic molecule
Emp. Form.:
C48H54F2N10O10S
Mol. Mass.:
1001.065
SMILES:
CCCS(=O)(=O)Nc1ccc(F)c(c1F)-n1cc(-c2cncnc2)c2nc(ccc12)N(C)C1CCN(CC1)C(=O)CCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |(-10.34,9.68,;-9.01,10.47,;-7.68,9.7,;-6.34,10.46,;-7.12,11.8,;-5.58,11.81,;-5.02,9.7,;-5.02,8.16,;-6.35,7.39,;-6.35,5.84,;-5.01,5.08,;-5.01,3.54,;-3.67,5.85,;-3.68,7.38,;-2.36,8.16,;-2.34,5.09,;-.93,5.72,;.12,4.57,;1.65,4.75,;2.55,3.5,;4.08,3.66,;4.7,5.08,;3.79,6.33,;2.26,6.16,;-.66,3.25,;-.17,1.79,;-1.2,.66,;-2.71,.96,;-3.18,2.42,;-2.16,3.56,;-.7,-.82,;-1.73,-1.97,;.81,-1.13,;1.29,-2.58,;2.79,-2.9,;3.82,-1.75,;3.34,-.29,;1.83,.05,;5.33,-2.07,;6.35,-.92,;5.81,-3.53,;7.32,-3.84,;7.8,-5.31,;9.3,-5.62,;9.78,-7.09,;11.29,-7.4,;11.77,-8.86,;13.28,-9.18,;13.76,-10.64,;15.27,-10.96,;15.75,-12.42,;17.25,-12.74,;17.73,-14.2,;16.71,-15.34,;17.18,-16.8,;18.69,-17.12,;19.72,-15.96,;21.25,-15.94,;22.17,-17.18,;21.71,-14.48,;23.17,-14,;24.32,-15.02,;25.78,-14.54,;26.09,-13.03,;27.55,-12.55,;24.94,-12.01,;23.47,-12.49,;22.32,-11.47,;20.47,-13.59,;20.45,-12.05,;19.24,-14.5,)|
Structure:
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