Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM504421
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:
BDBM504421
Synonyms:
N-(5-((4-(14-((2-(2,6- dioxopiperidin-3-yl)-1,3- dioxoisoindolin-5-yl)oxy)- 3,6,9,12- tetraoxatetradecyl)piperazin- 1-yl)methyl)-1-((1s,4s)-4- (hydroxymethyl)cyclohexyl)- 1H-benzo[d]imidazol-2-yl)- 3- (trifluoromethyl)benzamide | US11065231, Example 5
Type:
Small organic molecule
Emp. Form.:
C50H60F3N7O11
Mol. Mass.:
992.0469
SMILES:
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CCOCCOCCOCCOCCOc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)ccc12 |r,wU:5.8,2.1,(-19.72,-5.92,;-18.22,-5.6,;-17.74,-4.14,;-18.77,-2.99,;-18.3,-1.53,;-16.79,-1.21,;-15.76,-2.35,;-16.24,-3.81,;-16.31,.26,;-17.22,1.5,;-18.76,1.5,;-19.53,2.84,;-18.76,4.17,;-21.07,2.84,;-21.84,1.5,;-23.38,1.5,;-24.15,2.84,;-23.38,4.17,;-21.84,4.17,;-24.15,5.51,;-25.69,5.51,;-24.92,6.84,;-23.38,6.84,;-16.31,2.75,;-14.85,2.27,;-13.52,3.04,;-12.18,2.27,;-10.85,3.04,;-9.51,2.27,;-9.51,.73,;-8.18,-.04,;-6.85,.73,;-5.51,-.04,;-4.18,.73,;-2.85,-.04,;-1.51,.73,;-.18,-.04,;1.16,.73,;2.49,-.04,;3.82,.73,;5.16,-.04,;6.49,.73,;7.82,-.04,;9.16,.73,;10.49,-.04,;11.82,.73,;13.16,-.04,;14.49,.73,;14.49,2.27,;15.83,3.04,;17.16,2.27,;18.62,2.75,;19.1,4.22,;19.53,1.5,;21.07,1.5,;21.84,2.84,;23.38,2.84,;24.15,1.5,;25.69,1.5,;23.38,.17,;21.84,.17,;21.07,-1.16,;18.62,.26,;19.1,-1.21,;17.16,.73,;15.83,-.04,;-6.85,2.27,;-8.18,3.04,;-12.18,.73,;-13.52,-.04,;-14.85,.73,)|
Structure:
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