Target
Tyrosine-protein kinase BTK
Ligand
BDBM230089
Substrate
n/a
Meas. Tech.
Human Recombinant Btk Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
0.400±n/a nM
Comments
extracted
Citation
 Batt, DGBertrand, MBDelucca, GVGalella, MAKo, SSLangevine, CMLiu, QShi, QSrivastava, ASTino, JAWatterson, SH Substituted tetrahydrocarbazole and carbazole carboxamide compounds US Patent  US10106559 Publication Date 10/23/2018 
Target
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:
MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
  
Inhibitor
Name:
BDBM230089
Synonyms:
US10106559, Example 12 | US10435415, Example 12 | US9334290, 11 | US9850258, Example 12
Type:
Small organic molecule
Emp. Form.:
C32H26ClFN4O4
Mol. Mass.:
585.025
SMILES:
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.75,,;1.42,-.77,;.08,,;-1.25,-.77,;-1.25,-2.31,;.08,-3.08,;1.42,-2.31,;2.75,-3.08,;2.75,-4.62,;1.42,-5.39,;4.09,-5.39,;4.09,-6.93,;5.42,-4.62,;6.75,-5.39,;6.75,-6.93,;8.09,-4.62,;8.09,-3.08,;6.75,-2.31,;5.42,-3.08,;4.09,-2.31,;4.09,-.77,;.08,1.54,;1.42,2.31,;2.75,1.54,;1.42,3.85,;.08,4.62,;.08,6.16,;1.42,6.93,;-1.25,6.93,;-1.25,3.85,;-2.71,4.33,;-3.62,3.08,;-5.15,2.92,;-5.78,1.51,;-4.87,.27,;-3.34,.43,;-2.71,1.83,;-1.25,2.31,;-7.32,1.51,;-8.09,.18,;-6.55,.18,;-8.09,2.85,)|
Structure:
Search PDB for entries with ligand similarity: