Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM592233
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:
BDBM592233
Synonyms:
6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-(((1r,4R)-4- (1-cyclopropyl-1H-pyrazol-4- yl)cyclohexyl)amino)-N-((R)-2- fluoro-3-hydroxy-3- methylbutyl)nicotinamide | US11572362, Compound 14
Type:
Small organic molecule
Emp. Form.:
C31H35FN8O2
Mol. Mass.:
570.6604
SMILES:
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1cnn(c1)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-10.03,-1.54,;-8.7,-.77,;-8.7,.77,;-10.03,,;-7.36,-1.54,;-7.36,-3.08,;-6.03,-.77,;-4.7,-1.54,;-3.36,-.77,;-3.36,.77,;-2.03,-1.54,;-2.03,-3.08,;-.7,-3.85,;.64,-3.08,;.64,-1.54,;-.7,-.77,;-.7,.77,;.64,1.54,;.64,3.08,;1.97,3.85,;3.3,3.08,;3.3,1.54,;1.97,.77,;4.64,3.85,;4.8,5.38,;6.31,5.7,;7.08,4.37,;6.05,3.22,;8.61,4.21,;9.83,3.27,;10.03,4.79,;1.97,-3.85,;2.13,-5.38,;3.64,-5.7,;4.41,-4.37,;5.91,-4.05,;6.39,-2.58,;5.36,-1.44,;3.85,-1.76,;3.38,-3.22,;7.9,-2.26,;9.4,-1.94,)|
Structure:
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