Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM504420
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
<30±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:
BDBM504420
Synonyms:
N-(5-((4-(2-(2-(2-(2-((2-(2,6- dioxopiperidin-3-yl)-1,3- dioxoisoindolin-5- yl)oxy)ethoxy)ethoxy)ethoxy) ethyl)piperazin-1- yl)methyl)-1-((1s,4s)-4- (hydroxymethyl)cyclohexyl)- 1H-benzo[d]imidazol-2-yl)- 3- (trifluoromethyl)benzamide | US11065231, Example 4
Type:
Small organic molecule
Emp. Form.:
C48H56F3N7O10
Mol. Mass.:
947.9943
SMILES:
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CCOCCOCCOCCOc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)ccc12 |r,wU:5.8,2.1,(-15.26,-4.2,;-13.75,-3.88,;-13.27,-2.41,;-14.31,-1.27,;-13.83,.2,;-12.32,.52,;-11.29,-.63,;-11.77,-2.09,;-11.85,1.98,;-12.75,3.23,;-14.29,3.23,;-15.06,4.56,;-14.29,5.9,;-16.6,4.56,;-17.37,3.23,;-18.91,3.23,;-19.68,4.56,;-18.91,5.9,;-17.37,5.9,;-19.68,7.23,;-21.22,7.23,;-20.45,8.56,;-18.91,8.56,;-11.85,4.47,;-10.38,4,;-9.05,4.77,;-7.72,4,;-6.38,4.77,;-5.05,4,;-5.05,2.46,;-3.71,1.69,;-2.38,2.46,;-1.05,1.69,;.29,2.46,;1.62,1.69,;2.95,2.46,;4.29,1.69,;5.62,2.46,;6.96,1.69,;8.29,2.46,;9.62,1.69,;10.96,2.46,;12.29,1.69,;13.62,2.46,;14.96,1.69,;16.29,2.46,;17.62,1.69,;17.62,.15,;18.77,-.88,;20.28,-.56,;18.14,-2.29,;18.91,-3.62,;20.45,-3.62,;21.22,-4.96,;20.45,-6.29,;21.22,-7.62,;18.91,-6.29,;18.14,-4.96,;16.6,-4.96,;16.61,-2.13,;15.58,-3.27,;16.29,-.62,;14.96,.15,;-2.38,4,;-3.71,4.77,;-7.72,2.46,;-9.05,1.69,;-10.38,2.46,)|
Structure:
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