Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM592254
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
1.000±n/a nM
Citation
 Ammann, S; Bacon, EM; Brizgys, G; Chin, E; Chou, C; Cottell, JJ; Ndukwe, M; Taylor, JG; Wright, NE; Yang, Z; Zipfel, SM Pyrrolo[1,2-b]pyridazine derivatives US Patent  US11572362 Publication Date 2/7/2023 
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:
BDBM592254
Synonyms:
6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-((R)-2-fluoro- 3-hydroxy-3-methylbutyl)-4- (((1r,4R)-4-(4-(oxetan-3-yl)-1H- 1,2,3-triazol-1- yl)cyclohexyl)amino)nicotinamide | US11572362, Compound 33
Type:
Small organic molecule
Emp. Form.:
C30H34FN9O3
Mol. Mass.:
587.6479
SMILES:
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1cc(nn1)C1COC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-3.24,;-8.38,-2.47,;-8.38,-.93,;-9.72,-1.7,;-7.05,-3.24,;-7.05,-4.78,;-5.72,-2.47,;-4.38,-3.24,;-3.05,-2.47,;-3.05,-.93,;-1.72,-3.24,;-1.72,-4.78,;-.38,-5.55,;.95,-4.78,;.95,-3.24,;-.38,-2.47,;-.38,-.93,;.95,-.16,;.95,1.38,;2.29,2.15,;3.62,1.38,;3.62,-.16,;2.29,-.93,;4.95,2.15,;5.11,3.68,;6.62,4,;7.39,2.67,;6.36,1.53,;7.25,5.41,;8.68,5.96,;8.13,7.4,;6.69,6.85,;2.29,-5.55,;2.45,-7.08,;3.95,-7.4,;4.72,-6.07,;6.23,-5.75,;6.71,-4.28,;5.67,-3.14,;4.17,-3.46,;3.69,-4.92,;8.21,-3.96,;9.72,-3.64,)|
Structure:
Search PDB for entries with ligand similarity: