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Target
Tyrosine-protein kinase BTK
Ligand
BDBM303619
Substrate
n/a
Meas. Tech.
BTK Assay
IC50
28.0±n/a nM
Citation
 Bentzien, J; Berry, AK; Bosanac, T; Burke, MJ; Disalvo, DT; Horan, JC; Liang, S; Mao, C; Mao, W; Shen, Y; Soleymanzadeh, F; Zindell, RM Heteroaromatic compounds as BTK inhibitors US Patent  US10138229 Publication Date 11/27/2018 
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:
BDBM303619
Synonyms:
US10138229, Example 131 | US10875852, Example 131
Type:
Small organic molecule
Emp. Form.:
C21H22F3N5O2
Mol. Mass.:
433.4269
SMILES:
NC(=O)c1c(N)n(nc1-c1ccc(cc1)C(F)(F)F)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:19.20,21.29,wD:21.25,(-4.39,3.13,;-4.39,1.59,;-5.73,.82,;-3.06,.82,;-3.06,-.72,;-4.39,-1.49,;-1.6,-1.19,;-.69,.05,;-1.6,1.3,;-1.2,2.79,;.29,3.19,;.69,4.67,;-.4,5.76,;-1.89,5.36,;-2.29,3.88,;-0,7.25,;1.49,7.65,;-1.09,8.34,;.4,8.74,;-.83,-2.53,;.66,-2.92,;.26,-4.41,;-1.22,-4.01,;-.64,-5.66,;.26,-6.9,;1.73,-6.43,;1.73,-4.89,;3.06,-7.2,;3.06,-8.74,;4.39,-6.43,;5.73,-7.2,)|
Structure:
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