Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM499790
Substrate
n/a
Meas. Tech.
Mobility Shift Assay (MSA) Type A
IC50
1.90±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:
BDBM499790
Synonyms:
N-(cis-4-((5-(2-chlorobenzoyl)-7H- pyrrolo[2,3-d]pyrimidin-4- yl)amino)cyclohexyl)-1- hydroxycyclopropane-1-carboxamide | US11020398, Compound I-102
Type:
Small organic molecule
Emp. Form.:
C23H24ClN5O3
Mol. Mass.:
453.921
SMILES:
OC1(CC1)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:7.7,10.14,(-6.29,4.52,;-7.06,3.18,;-7.83,4.52,;-8.6,3.18,;-5.73,2.41,;-5.73,.87,;-4.39,3.18,;-3.06,2.41,;-1.73,3.18,;-.39,2.41,;-.39,.87,;-1.73,.1,;-3.06,.87,;.94,.1,;.94,-1.44,;-.39,-2.21,;-.39,-3.75,;.94,-4.52,;2.27,-3.75,;3.74,-4.22,;4.64,-2.98,;3.74,-1.73,;4.14,-.24,;3.05,.85,;5.63,.16,;6.02,1.64,;7.51,2.04,;8.6,.95,;8.2,-.54,;6.71,-.93,;6.32,-2.42,;2.27,-2.21,)|
Structure:
Search PDB for entries with ligand similarity: