Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM303543
Substrate
n/a
Meas. Tech.
ChEMBL_1912309 (CHEMBL4414892)
IC50
0.170000±n/a nM
Citation
 Guo, Y; Liu, Y; Hu, N; Yu, D; Zhou, C; Shi, G; Zhang, B; Wei, M; Liu, J; Luo, L; Tang, Z; Song, H; Guo, Y; Liu, X; Su, D; Zhang, S; Song, X; Zhou, X; Hong, Y; Chen, S; Cheng, Z; Young, S; Wei, Q; Wang, H; Wang, Q; Lv, L; Wang, F; Xu, H; Sun, H; Xing, H; Li, N; Zhang, W; Wang, Z; Liu, G; Sun, Z; Zhou, D; Li, W; Liu, L; Wang, L; Wang, Z Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem 62:7923-7940 (2019) [PubMed]  Article 
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:
BDBM303543
Synonyms:
US10138229, Example 54 | US10266513, Example 127 | US10815213, Example 127 | US10875852, Example 54 | US9926299, 18
Type:
Small organic molecule
Emp. Form.:
C24H25N5O3
Mol. Mass.:
431.487
SMILES:
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
Structure:
Search PDB for entries with ligand similarity: