Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM499827
Substrate
n/a
Meas. Tech.
Mobility Shift Assay (MSA) Type A
IC50
2.30±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:
BDBM499827
Synonyms:
N-(cis-4-((5-(4-phenoxybenzoyl)-7H- pyrrolo[2,3-d]pyrimidin-4- yl)amino)cyclohexyl)acetamide | US11020398, Compound I-139
Type:
Small organic molecule
Emp. Form.:
C27H27N5O3
Mol. Mass.:
469.535
SMILES:
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:4.3,7.10,(-10.41,3.85,;-9.07,3.08,;-9.07,1.54,;-7.74,3.85,;-6.41,3.08,;-5.07,3.85,;-3.74,3.08,;-3.74,1.54,;-5.07,.77,;-6.41,1.54,;-2.41,.77,;-2.41,-.77,;-3.74,-1.54,;-3.74,-3.08,;-2.41,-3.85,;-1.07,-3.08,;.39,-3.56,;1.3,-2.31,;.39,-1.06,;.79,.42,;-.3,1.51,;2.28,.82,;3.37,-.27,;4.86,.13,;5.25,1.62,;6.74,2.02,;7.83,.93,;7.43,-.56,;8.52,-1.65,;10.01,-1.25,;10.41,.24,;9.32,1.33,;4.17,2.71,;2.68,2.31,;-1.07,-1.54,)|
Structure:
Search PDB for entries with ligand similarity: