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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM407449
Substrate
n/a
Meas. Tech.
IRAK4 Monocyte TNFalpha Cell Based Assay
IC50
<1.000±n/a nM
Citation
 Bacon, EM; Brizgys, G; Chin, E; Chou, C; Cottell, JJ; Link, JO; Taylor, JG; Tse, WC; Wright, NE; Yang, Z; Zhang, JR; Zipfel, SM Pyrrolo[1,2-b]pyridazine derivatives US Patent  US10336762 Publication Date 7/2/2019 
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:
BDBM407449
Synonyms:
N-(cyanomethyl)-6-(3- cyanopyrrolo[1,2-b] pyridazin-7-yl)-4-(((1r,4r)- 4-(2-oxooxazolidin-3- yl)cyclohexyl)amino) nicotinamide | US10336762, Compound 391
Type:
Small organic molecule
Emp. Form.:
C25H24N8O3
Mol. Mass.:
484.5099
SMILES:
O=C(NCC#N)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(-3.7,.39,;-3.7,-1.15,;-5.03,-1.92,;-6.36,-1.15,;-7.7,-1.92,;-9.03,-2.69,;-2.36,-1.92,;-2.36,-3.46,;-1.03,-4.23,;.3,-3.46,;.3,-1.92,;-1.03,-1.15,;-1.03,.39,;.3,1.16,;1.64,.39,;2.97,1.16,;2.97,2.7,;1.64,3.47,;.3,2.7,;4.3,3.47,;5.71,2.84,;6.74,3.98,;5.97,5.32,;4.47,5,;3.38,6.09,;1.64,-4.23,;1.8,-5.77,;3.3,-6.09,;4.07,-4.75,;5.58,-4.43,;6.06,-2.97,;5.03,-1.82,;3.52,-2.14,;3.04,-3.61,;7.54,-2.57,;9.03,-2.17,)|
Structure:
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