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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM407885
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:
BDBM407885
Synonyms:
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2- fluoro-3-hydroxy-3- methylbutyl)-4-(((1r,3R)- 3-((1-(trifluoromethyl) cyclopropane-1- carboxamido)methyl) cyclobutyl)amino) nicotinamide | US10336762, Compound 829
Type:
Small organic molecule
Emp. Form.:
C29H31F4N7O3
Mol. Mass.:
601.5952
SMILES:
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2(CC2)C(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:19.20,4.4,wD:17.17,(-9.89,-1.49,;-8.55,-.72,;-8.55,.82,;-9.89,.05,;-7.22,-1.49,;-7.22,-3.03,;-5.89,-.72,;-4.55,-1.49,;-3.22,-.72,;-3.22,.82,;-1.89,-1.49,;-1.89,-3.03,;-.55,-3.8,;.78,-3.03,;.78,-1.49,;-.55,-.72,;-.55,.82,;.78,1.59,;2.27,1.19,;2.67,2.68,;4,3.45,;5.33,2.68,;6.67,3.45,;6.67,4.99,;8,2.68,;8.77,1.34,;9.54,2.68,;8.4,4.17,;7.31,5.25,;9.89,4.56,;8.8,5.65,;1.18,3.08,;2.11,-3.8,;2.28,-5.33,;3.78,-5.65,;4.55,-4.32,;6.06,-4,;6.53,-2.53,;5.5,-1.39,;4,-1.71,;3.52,-3.17,;8.02,-2.14,;9.51,-1.74,)|
Structure:
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