Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM412883
Substrate
n/a
Meas. Tech.
BTKWT Binding Affinity
IC50
0.400±n/a nM
Citation
 Guisot, N Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer US Patent  US10399989 Publication Date 9/3/2019 
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:
BDBM412883
Synonyms:
N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methoxy-benzamide | US10399989, Example 23-isomer 2
Type:
Small organic molecule
Emp. Form.:
C26H28N6O3
Mol. Mass.:
472.5389
SMILES:
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.26,(3.02,11.02,;2.37,9.63,;3.46,8.54,;4.95,8.94,;6.04,7.85,;5.64,6.36,;4.15,5.96,;3.06,7.05,;1.57,6.65,;.49,7.74,;1.18,5.16,;-.31,4.77,;-.71,3.28,;.38,2.19,;-.02,.7,;-1.51,.3,;-2.6,1.39,;-2.2,2.88,;-1.91,-1.18,;-1,-2.43,;-1.91,-3.68,;-1.51,-5.16,;-.02,-5.56,;.38,-7.05,;-.71,-8.14,;-.31,-9.63,;-2.2,-7.74,;-2.6,-6.25,;-3.37,-3.2,;-4.7,-3.97,;-6.04,-3.2,;-6.04,-1.66,;-4.7,-.89,;-4.7,.65,;-3.37,-1.66,)|
Structure:
Search PDB for entries with ligand similarity: