Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTyrosine-protein kinase BTK
LigandBDBM394253
Substrate/Competitorn/a
Meas. Tech.Lanthscreen Eu Kinase Binding Assay
IC50 0.300±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:
BDBM394253
n/a
NameBDBM394253
Synonyms:US9975882, Example 44
TypeSmall organic molecule
Emp. Form.C25H27N7O2
Mol. Mass.457.5276
SMILESCC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-3.58,-8.75,;-2.81,-7.41,;-2.04,-6.08,;-1.27,-4.75,;.27,-4.75,;-2.04,-3.41,;-3.58,-3.41,;-4.06,-1.95,;-2.81,-1.04,;-1.73,.05,;-2.81,1.13,;-3.9,.05,;-2.81,2.67,;-1.57,3.58,;-2.04,5.04,;-1.27,6.38,;-1.75,7.84,;-.5,8.75,;.74,7.84,;2.23,8.24,;3.32,7.15,;2.92,5.66,;4.01,4.58,;5.5,4.97,;5.89,6.46,;4.81,7.55,;.27,6.38,;-3.58,5.04,;-4.35,6.38,;-5.89,6.38,;-3.58,7.71,;-4.06,3.58,;-5.39,2.81,;-1.57,-1.95,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: