Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTyrosine-protein kinase BTK
LigandBDBM394214
Substrate/Competitorn/a
Meas. Tech.Lanthscreen Eu Kinase Binding Assay
IC50 0.400±n/a nM
Citation Bosanac, TBentzien, JBurke, MJFryer, RMLarson, ETMao, WMcKibben, BPShen, YSoleymanzadeh, FTschantz, MA Heteroaromatic compounds as BTK inhibitors US Patent US9975882 Publication Date 5/22/2018
More Info.:Get all data from this article,  Assay Method
 
Tyrosine-protein kinase BTK
Name:Tyrosine-protein kinase BTK
Synonyms:AGMX1 | ATK | Agammaglobulinaemia tyrosine kinase | Agammaglobulinemia tyrosine kinase | B cell progenitor kinase | B-cell progenitor kinase | BPK | BTK | BTK_HUMAN | Bruton tyrosine kinase | Tyrosine Kinase BTK | Tyrosine-protein kinase (BTK) | Tyrosine-protein kinase BTK (BTK)
Type:Enzyme
Mol. Mass.:76289.95
Organism:Homo sapiens (Human)
Description:Q06187
Residue:659
Sequence:
MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEK
ITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEEL
RKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSS
HRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDE
YFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGK
EGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELIN
YHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGK
WRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANG
CLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDF
GLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYER
FTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM394214
n/a
NameBDBM394214
Synonyms:US9975882, Example 5
TypeSmall organic molecule
Emp. Form.C27H28F3N7O2
Mol. Mass.539.5521
SMILESCC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(C)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;5.52,8.56,;3.64,6.68,;2.15,6.28,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: