Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM592227
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
1.000±n/a nM
Citation
 Ammann, S; Bacon, EM; Brizgys, G; Chin, E; Chou, C; Cottell, JJ; Ndukwe, M; Taylor, JG; Wright, NE; Yang, Z; Zipfel, SM Pyrrolo[1,2-b]pyridazine derivatives US Patent  US11572362 Publication Date 2/7/2023 
Target
Name:
Interleukin-1 receptor-associated kinase 4
Synonyms:
IRAK-4 | IRAK4 | IRAK4_HUMAN | Interleukin-1 receptor-associated kinase 4 (IRAK-4) | Interleukin-1 receptor-associated kinase 4 (IRAK4) | Renal carcinoma antigen NY-REN-64
Type:
Protein
Mol. Mass.:
51519.08
Organism:
Homo sapiens (Human)
Description:
Q9NWZ3
Residue:
460
Sequence:
MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALLQTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITVQQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS
  
Inhibitor
Name:
BDBM592227
Synonyms:
6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-(((1r,4R)-4- (1-(difluoromethyl)-1H-pyrazol-3- yl)cyclohexyl)amino)-N-((R)-2- fluoro-3-hydroxy-3- methylbutyl)nicotinamide | US11572362, Compound 8
Type:
Small organic molecule
Emp. Form.:
C29H31F3N8O2
Mol. Mass.:
580.604
SMILES:
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1ccn(n1)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.79,-1.54,;-8.46,-.77,;-8.46,.77,;-9.79,,;-7.12,-1.54,;-7.12,-3.08,;-5.79,-.77,;-4.46,-1.54,;-3.12,-.77,;-3.12,.77,;-1.79,-1.54,;-1.79,-3.08,;-.45,-3.85,;.88,-3.08,;.88,-1.54,;-.45,-.77,;-.45,.77,;.88,1.54,;.88,3.08,;2.21,3.85,;3.55,3.08,;3.55,1.54,;2.21,.77,;4.88,3.85,;5.04,5.38,;6.55,5.7,;7.32,4.37,;6.29,3.22,;8.85,4.21,;9.79,5.43,;9.45,2.79,;2.21,-3.85,;2.37,-5.38,;3.88,-5.7,;4.65,-4.37,;6.16,-4.05,;6.63,-2.58,;5.6,-1.44,;4.1,-1.76,;3.62,-3.22,;8.14,-2.26,;9.65,-1.94,)|
Structure:
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