Reaction Details  Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM588167
Substrate
n/a
Meas. Tech.
BTK and EGFR in Vitro Assay
IC50
6.89±0.835 nM
Citation
 Henry, Jr., KJ; Khilevich, A; Kuklish, SL; Partridge, KM; Quimby, SJ BTK inhibitor compounds US Patent  US11542249 Publication Date 1/3/2023
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:
BDBM588167
Synonyms:
1-[4-[[6-[2-[3- (difluoromethoxy) phenoxy]pyrimidin- 5-yl]pyrazin-2- yl]amino]-1- piperidyl]prop-2- en-1-one | US11542249, Example 38
Type:
Small organic molecule
Emp. Form.:
C23H22F2N6O3
Mol. Mass.:
468.456
SMILES:
FC(F)Oc1cccc(Oc2ncc(cn2)-c2cncc(NC3CCN(CC3)C(=O)C=C)n2)c1
Structure:
Search PDB for entries with ligand similarity: