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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM407878
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:
BDBM407878
Synonyms:
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2- fluoro-3-hydroxy-3- methylbutyl)-4-(((1r,4R)-4- morpholinocyclohexyl) amino)nicotinamide | US10336762, Compound 822
Type:
Small organic molecule
Emp. Form.:
C29H36FN7O3
Mol. Mass.:
549.6396
SMILES:
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.77,;-8.37,-1,;-8.37,.54,;-9.7,-.23,;-7.03,-1.77,;-7.03,-3.31,;-5.7,-1,;-4.36,-1.77,;-3.03,-1,;-3.03,.54,;-1.7,-1.77,;-1.7,-3.31,;-.36,-4.08,;.97,-3.31,;.97,-1.77,;-.36,-1,;-.36,.54,;.97,1.31,;.97,2.85,;2.3,3.62,;3.64,2.85,;3.64,1.31,;2.3,.54,;4.97,3.62,;6.31,2.85,;7.64,3.62,;7.64,5.16,;6.31,5.93,;4.97,5.16,;2.3,-4.08,;2.47,-5.61,;3.97,-5.93,;4.74,-4.6,;6.25,-4.28,;6.72,-2.81,;5.69,-1.67,;4.19,-1.99,;3.71,-3.45,;8.21,-2.41,;9.7,-2.02,)|
Structure:
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