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Target
Tyrosine-protein kinase BTK
Ligand
BDBM50553431
Substrate
n/a
Meas. Tech.
ChEMBL_2046368 (CHEMBL4701067)
IC50
0.200000±n/a nM
Citation
 Ma, B; Bohnert, T; Otipoby, KL; Tien, E; Arefayene, M; Bai, J; Bajrami, B; Bame, E; Chan, TR; Humora, M; MacPhee, JM; Marcotte, D; Mehta, D; Metrick, CM; Moniz, G; Polack, E; Poreci, U; Prefontaine, A; Sheikh, S; Schroeder, P; Smirnakis, K; Zhang, L; Zheng, F; Hopkins, BT Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases. J Med Chem 63:12526-12541 (2020) [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:
BDBM50553431
Synonyms:
CHEMBL4754065
Type:
Small organic molecule
Emp. Form.:
C24H27N7OS
Mol. Mass.:
461.582
SMILES:
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1
Structure:
Search PDB for entries with ligand similarity: