Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM504465
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
>1000±n/a nM
Citation
 Crew, AP; Araujo, E Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides US Patent  US11065231 Publication Date 7/20/2021 
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:
BDBM504465
Synonyms:
N-(1-((1s,4s)-4-((2-((2-(2,6- dioxopiperidin-3-yl)-1,3- dioxoisoindolin-5- yl)oxy)ethoxy)methyl) cyclohexyl)-5-(piperidin-1- ylmethyl)-1H- benzo[d]imidazol-2-yl)-3- (trifluoromethyl)benzamide | US11065231, Example 45
Type:
Small organic molecule
Emp. Form.:
C37H33F4N5O7
Mol. Mass.:
735.6808
SMILES:
Fc1ccc2n([C@@H]3CC[C@H](COCCOc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1 |r,wU:9.9,6.5,(-9.2,8.05,;-8.73,6.59,;-7.22,6.27,;-6.75,4.8,;-7.78,3.66,;-7.62,2.12,;-6.28,1.35,;-6.28,-.19,;-4.95,-.96,;-3.61,-.19,;-2.28,-.96,;-2.28,-2.5,;-.95,-3.27,;-.95,-4.81,;.39,-5.58,;1.72,-4.8,;1.72,-3.26,;3.05,-2.49,;4.38,-3.26,;5.85,-2.78,;6.32,-1.32,;6.75,-4.03,;8.29,-4.03,;9.06,-2.7,;10.6,-2.7,;11.37,-4.03,;12.91,-4.03,;10.6,-5.36,;9.06,-5.36,;8.29,-6.7,;5.85,-5.28,;6.32,-6.74,;4.38,-4.8,;3.05,-5.57,;-3.61,1.35,;-4.95,2.12,;-9.02,1.5,;-9.34,-.01,;-10.81,-.48,;-11.95,.55,;-11.13,-1.99,;-12.59,-2.47,;-12.91,-3.97,;-11.77,-5,;-10.3,-4.53,;-9.98,-3.02,;-9.16,-5.56,;-9.48,-7.06,;-7.69,-5.08,;-8.01,-6.59,;-10.05,2.64,;-9.28,3.98,;-9.76,5.44,)|
Structure:
Search PDB for entries with ligand similarity: