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Target
Interleukin-1 beta
Ligand
BDBM531302
Substrate
n/a
Meas. Tech.
IL-1 Secretion Assa
IC50
8.30±n/a nM
Citation
 Farady, C; Gommermann, N; Janser, P; Mackay, A; Mattes, H; Smith, N; Solovay, CF; Stiefl, NJ; Vangrevelinghe, E; Velcicky, J; von Matt, A NLRP3 inflammasome inhibitors US Patent  US11208399 Publication Date 12/28/2021 
Target
Name:
Interleukin-1 beta
Synonyms:
IL1B | IL1B_HUMAN | IL1F2 | Interleukin 1-beta | Interleukin-1 beta | hIL-1beta
Type:
Cytokine
Mol. Mass.:
30734.47
Organism:
Homo sapiens (Human)
Description:
P01584
Residue:
269
Sequence:
MAEVPELASEMMAYYSGNEDDLFFEADGPKQMKCSFQDLDLCPLDGGIQLRISDHHYSKGFRQAASVVVAMDKLRKMLVPCPQTFQENDLSTFFPFIFEEEPIFFDTWDNEAYVHDAPVRSLNCTLRDSQQKSLVMSGPYELKALHLQGQDMEQQVVFSMSFVQGEESNDKIPVALGLKEKNLYLSCVLKDDKPTLQLESVDPKNYPKKKMEKRFVFNKIEINNKLEFESAQFPNWYISTSQAENMPVFLGGTKGGQDITDFTMQFVSS
  
Inhibitor
Name:
BDBM531302
Synonyms:
US11208399, Example 56
Type:
Small organic molecule
Emp. Form.:
C18H17F6N3O2
Mol. Mass.:
421.3369
SMILES:
Cc1cc(cc(O)c1-c1cc(c(N[C@H]2C[C@@](C)(O)C2)nn1)C(F)(F)F)C(F)(F)F |r,wU:15.16,wD:13.13,15.17,(-1.13,2.03,;-2.46,1.26,;-3.8,2.03,;-5.18,1.29,;-5.13,-.28,;-3.8,-1.05,;-3.8,-2.59,;-2.46,-.28,;-1.13,-1.05,;.2,-.28,;1.63,-1.03,;1.54,-2.59,;2.87,-3.36,;4.21,-2.59,;5.54,-3.36,;6.31,-2.03,;6.51,-.5,;7.8,-1.63,;4.98,-1.26,;.2,-3.36,;-1.13,-2.59,;2.98,-.28,;4.32,.48,;2.22,1.06,;3.73,-1.62,;-6.51,2.06,;-7.84,2.83,;-5.74,3.39,;-7.28,.72,)|
Structure:
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