Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBcr-Abl
LigandBDBM50237710
Substrate/Competitorn/a
Meas. Tech.Kinase Assays
IC50 214± 0 nM
Citation Pan XDong JGao HWang FZhang YWang SZhang J Design, synthesis and biological evaluation of pyridin-3-yl pyrimidines as potent Bcr-Abl inhibitors. Chem Biol Drug Des 83:592-9 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Bcr-Abl
Name:Bcr-Abl
Synonyms:n/a
Type:Protein
Mol. Mass.:76683.66
Organism:Homo sapiens (Human)
Description:n/a
Residue:693
Sequence:
MVDPVGFAEAWKAQFPDSEPPRMELRSVGDIEQELERCKASIRRLEQEVNQERFRMIYLQ
TLLAKEKKSYDRQRWGFRRAAQAPDGASEPRASASRPQPAPADGADPPPAEEPEARPDGE
GSPGKARPGTARRPGAAASGERDDRGPPASVAALRSNFERIRKGHGQPGADAEKPFYVNV
EFHHERGLVKVNDKEVSDRISSLGSQAMQMERKKSQHGAGSSVGDASRPPYRGRSSESSC
GVDGDYEDAELNPRFLKDNLIDANGGSRPPWPPLEYQPYQSIYVGGMMEGEGKGPLLRSQ
STSEQEKRLTWPRRSYSPRSFEDCGGGYTPDCSSNENLTSSEEDFSSGQSSRVSPSPTTY
RMFRDKSRSPSQNSQQSFDSSSPPTPQCHKRHRHCPVVVSEATIVGVRKTGQIWPNDGEG
AFHGDADGSFGTPPGYGCAADRAEEQRRHQDGLPYIDDSPSSSPHLSSKGRGSRDALVSG
ALESTKASELDLEKGLEMRKWVLSGILASEETYLSHLEALLLPMKPLKAAATTSQPVLTS
QQIETIFFKVPELYEIHKEFYDGLFPRVQQWSHQQRVGDLFQKLASQLGVYRAFVDNYGV
AMEMAEKCCQANAQFAEISENLRARSNKDAKDPTTKNSLETLLYKPVDRVTRSTLVLHDL
LKHTPASHPDHPLLQDALRISQNFLSSINEEIT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50237710
n/a
NameBDBM50237710
Synonyms:4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide | AMN 107 | AMN107 | CHEMBL255863 | NILOTINIB
TypeSmall organic molecule
Emp. Form.C28H22F3N7O
Mol. Mass.529.5158
SMILESCc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: