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Target
Tyrosine-protein kinase BTK
Ligand
BDBM499889
Substrate
n/a
Meas. Tech.
Mobility Shift Assay (MSA) Type B
IC50
1.50±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:
BDBM499889
Synonyms:
(2-chloro-4-phenoxyphenyl)(4-((trans- 4-hydroxy-4-methylcyclohexyl)amino)- 7H-pyrrolo[2,3-d]pyrimidin-5- yl)methanone | US11020398, Compound I-201
Type:
Small organic molecule
Emp. Form.:
C26H25ClN4O3
Mol. Mass.:
476.955
SMILES:
C[C@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:5.8,1.0,wD:1.1,(-8.06,4.21,;-7.66,2.72,;-9.15,2.32,;-7.66,1.18,;-6.33,.41,;-5,1.18,;-5,2.72,;-6.33,3.49,;-3.66,.41,;-3.66,-1.13,;-5,-1.9,;-5,-3.44,;-3.66,-4.21,;-2.33,-3.44,;-.86,-3.91,;.04,-2.67,;-.86,-1.42,;-.46,.06,;-1.55,1.15,;1.02,.46,;2.11,-.63,;3.6,-.23,;4,1.26,;5.49,1.66,;6.57,.57,;8.06,.97,;9.15,-.12,;8.75,-1.61,;7.26,-2.01,;6.18,-.92,;2.91,2.35,;1.42,1.95,;.33,3.04,;-2.33,-1.9,)|
Structure:
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