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Target
Tyrosine-protein kinase BTK
Ligand
BDBM250054
Substrate
n/a
Meas. Tech.
ChEMBL_2291427
IC50
1.2±n/a nM
Citation
 Guo, Y; Hu, N; Liu, Y; Zhang, W; Yu, D; Shi, G; Zhang, B; Yin, L; Wei, M; Yuan, X; Luo, L; Wang, F; Song, X; Xin, L; Wei, Q; Li, Y; Guo, Y; Chen, S; Zhang, T; Zhang, S; Zhou, X; Zhang, C; Su, D; Liu, J; Cheng, Z; Zhang, J; Xing, H; Sun, H; Li, X; Zhao, Y; He, M; Wu, Y; Guo, Y; Sun, X; Tian, A; Zhou, C; Young, S; Liu, X; Wang, L; Wang, Z Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases. J Med Chem 66:4025-4044 (2023) [PubMed] 
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:
BDBM250054
Synonyms:
US10005782, Compound 176 | US9447106, 176 | US9556188, Compound 176
Type:
Small organic molecule
Emp. Form.:
C28H29N5O3
Mol. Mass.:
483.5616
SMILES:
CC#CC(=O)N1CCC(CC1)[C@@H]1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1 |r|
Structure:
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