Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM407881
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:
BDBM407881
Synonyms:
4-(((1r,3R)-3- (butyramidomethyl)cyclo- butyl)amino)-6-(3-cyano- pyrrolo[1,2-b]pyridazin-7- yl)-N-((R)-2-fluoro-3- hydroxy-3-methylbutyl) nicotinamide | US10336762, Compound 825
Type:
Small organic molecule
Emp. Form.:
C28H34FN7O3
Mol. Mass.:
535.6131
SMILES:
CCCC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.6,22.24,wD:9.11,(10.28,3.01,;8.95,3.78,;7.61,3.01,;6.28,3.78,;6.28,5.32,;4.94,3.01,;3.61,3.78,;2.28,3.01,;1.88,1.52,;.39,1.92,;.79,3.41,;-.94,1.15,;-.94,-.39,;.39,-1.16,;.39,-2.7,;-.94,-3.47,;-2.28,-2.7,;-2.28,-1.16,;-3.61,-.39,;-3.61,1.15,;-4.94,-1.16,;-6.28,-.39,;-7.61,-1.16,;-7.61,-2.7,;-8.95,-.39,;-10.28,-1.16,;-8.95,1.15,;-10.28,.38,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|
Structure:
Search PDB for entries with ligand similarity: