Target
Tyrosine-protein kinase BTK
Ligand
BDBM468053
Substrate
n/a
Meas. Tech.
TBD
IC50
10.0±n/a nM
Citation
 Arora, NBacani, GMBarbay, JKBembenek, SDCai, MChen, WDeckhut, CPEdwards, JPGhosh, BHao, BKreutter, KDLi, GTichenor, MSVenable, JDWei, JWiener, JJWu, YZhu, YZhang, FZhang, ZXiao, K Inhibitors of Bruton's tyrosine kinase and method of their use US Patent  US10800792 Publication Date 10/13/2020 
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:
BDBM468053
Synonyms:
(R)-N-(1-Acryloylpyrrolidin-3-yl)-5-(*S)-(2-methyl-6- phenoxypyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 716
Type:
Small organic molecule
Emp. Form.:
C27H23N7O4S
Mol. Mass.:
541.581
SMILES:
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.46,.51,;-4.46,2.05,;-5.79,2.82,;-5.79,4.36,;-7.12,5.13,;-8.46,4.36,;-9.79,5.13,;-11.13,4.36,;-11.13,2.82,;-9.79,2.05,;-8.46,2.82,;-4.46,5.13,;-3.12,4.36,;-3.12,2.82,;-1.79,2.05,;-1.79,.51,;-3.12,-.26,;-3.12,-1.8,;-1.79,-2.57,;-.46,-1.8,;1.03,-2.2,;2.24,-.72,;3.78,-.72,;4.55,.62,;4.55,-2.05,;6.09,-2.05,;6.99,-.8,;8.46,-1.28,;8.46,-2.82,;6.99,-3.3,;9.79,-3.59,;9.79,-5.13,;11.13,-2.82,;11.13,-1.28,;.88,.51,;.88,2.05,;-.46,2.82,;-.46,4.36,;-.46,-.26,)|
Structure:
Search PDB for entries with ligand similarity: