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Target
Tyrosine-protein kinase BTK
Ligand
BDBM499865
Substrate
n/a
Meas. Tech.
Mobility Shift Assay (MSA) Type B
IC50
1.70±n/a nM
Citation
 Bates, C; Eathiraj, S; Inagaki, H; Lapierre, J; Momose, T; Nakayama, K; Odagiri, T; Ota, M; Ota, Y; Shibata, Y; Tandon, M; Tsunemi, T Amino-pyrrolopyrimidinone compounds and methods of use thereof US Patent  US11020398 Publication Date 6/1/2021 
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:
BDBM499865
Synonyms:
(2-chloro-4-phenoxyphenyl)(4-((trans- 4-((dimethylamino)methyl)-4- hydroxycyclohexyl)amino)-7H- pyrrolo[2,3-d]pyrimidin-5-yl)methanone | US11020398, Compound I-177
Type:
Small organic molecule
Emp. Form.:
C28H30ClN5O3
Mol. Mass.:
520.023
SMILES:
CN(C)C[C@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:4.3,8.11,wD:4.4,(-8.38,.22,;-8.38,1.76,;-9.72,2.53,;-7.05,2.53,;-5.72,1.76,;-5.72,3.3,;-5.72,.22,;-4.38,-.55,;-3.05,.22,;-3.05,1.76,;-4.38,2.53,;-1.71,-.55,;-1.71,-2.09,;-3.05,-2.86,;-3.05,-4.4,;-1.71,-5.17,;-.38,-4.4,;1.08,-4.87,;1.99,-3.63,;1.08,-2.38,;1.48,-.89,;.39,.2,;2.97,-.49,;4.06,-1.58,;5.55,-1.18,;5.94,.3,;7.43,.7,;7.83,2.19,;9.32,2.59,;9.72,4.08,;8.63,5.17,;7.14,4.77,;6.74,3.28,;4.86,1.39,;3.37,.99,;2.28,2.08,;-.38,-2.86,)|
Structure:
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