Target
Tyrosine-protein kinase BTK
Ligand
BDBM499869
Substrate
n/a
Meas. Tech.
Mobility Shift Assay (MSA) Type B
IC50
0.980±n/a nM
Citation
 Bates, CEathiraj, SInagaki, HLapierre, JMomose, TNakayama, KOdagiri, TOta, MOta, YShibata, YTandon, MTsunemi, 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:
BDBM499869
Synonyms:
N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-pyrrolo[2,3- d]pyrimidin-4-yl)amino)cyclohexyl)-2- (dimethylamino)acetamide | US11020398, Compound I-181
Type:
Small organic molecule
Emp. Form.:
C29H31ClN6O3
Mol. Mass.:
547.048
SMILES:
CN(C)CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:7.6,10.13,(-11.74,3.85,;-10.41,3.08,;-10.41,1.54,;-9.07,3.85,;-7.74,3.08,;-7.74,1.54,;-6.41,3.85,;-5.07,3.08,;-3.74,3.85,;-2.41,3.08,;-2.41,1.54,;-3.74,.77,;-5.07,1.54,;-1.07,.77,;-1.07,-.77,;-2.41,-1.54,;-2.41,-3.08,;-1.07,-3.85,;.26,-3.08,;1.73,-3.56,;2.63,-2.31,;1.73,-1.06,;2.13,.42,;1.04,1.51,;3.61,.82,;4.7,-.27,;6.19,.13,;6.59,1.62,;8.08,2.02,;9.16,.93,;8.77,-.56,;9.85,-1.65,;11.34,-1.25,;11.74,.24,;10.65,1.33,;5.5,2.71,;4.01,2.31,;2.92,3.4,;.26,-1.54,)|
Structure:
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