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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM347963
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
<100±n/a nM
Citation
 Jorand-Lebrun, C; Jones, R; Won, AC; Nguyen, N; Johnson, TL; Deselm, LC; Panda, K Heteroaryl compounds as IRAK inhibitors and uses thereof US Patent  US9790221 Publication Date 10/17/2017 
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:
BDBM347963
Synonyms:
US9790221, Compound 169
Type:
Small organic molecule
Emp. Form.:
C26H30N8O2S
Mol. Mass.:
518.634
SMILES:
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3(C2)CCN(C3)S(C)(=O)=O)n1 |(1.67,5.84,;.18,6.23,;-.72,4.99,;-2.19,5.46,;-2.19,7,;-.72,7.48,;-3.52,4.69,;-4.86,5.46,;-6.19,4.69,;-6.19,3.15,;-4.86,2.38,;-3.52,3.15,;-4.86,.84,;-6.19,.07,;-6.19,-1.47,;-4.86,-2.24,;-4.86,-3.78,;-6.1,-4.68,;-5.63,-6.15,;-4.09,-6.15,;-3.32,-7.48,;-3.61,-4.68,;-3.52,-1.47,;-2.19,-2.24,;-.86,-1.47,;.63,-1.86,;1.03,-.38,;-.46,.02,;1.51,1.09,;3.05,1.09,;3.52,-.38,;2.28,-1.28,;4.86,-1.15,;5.63,-2.48,;6.19,-.38,;4.86,.39,;-3.52,.07,)|
Structure:
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