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Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50485532
Substrate
n/a
Meas. Tech.
ChEMBL_835066 (CHEMBL2073610)
IC50
820±n/a nM
Citation
 Xu, Z; Yan, G; Wang, G; Li, B; Zhu, J; Sun, P; Zhang, X; Luo, C; Wang, H; Zhu, W Combining pharmacophore, docking and substructure search approaches to identify and optimize novel B-RafV600E inhibitors. Bioorg Med Chem Lett 22:5428-37 (2012) [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:
BDBM50485532
Synonyms:
CHEMBL2070582
Type:
Small organic molecule
Emp. Form.:
C20H16Cl2N4O5S2
Mol. Mass.:
527.401
SMILES:
CS(=O)(=O)N(CCC#N)Cc1ccc(\C=C2\C(=O)NC(=S)N(C2=O)c2ccc(Cl)c(Cl)c2)o1
Structure:
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