Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM504425
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:
BDBM504425
Synonyms:
N-(5-((4-((1-(2-((2-(2,6- dioxopiperidin-3-yl)-1,3- dioxoisoindolin-5- yl)oxy)ethyl)piperazin-4- yl)methyl)piperzin-1- yl)methyl)-1-((1s,4s)-4- (hydroxymethyl)cyclohexyl)- 1H-benzo[d]imidazol-2-yl)- 3- (trifluoromethyl)benzamide | US11065231, Example 10
Type:
Small organic molecule
Emp. Form.:
C48H55F3N8O7
Mol. Mass.:
912.9949
SMILES:
OC[C@H]1CCC(CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CC4CCN(CCOc5ccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c6c5)CC4)CC3)ccc12 |r,wU:2.1,(-7.07,-6.81,;-6.12,-5.6,;-6.69,-4.17,;-8.21,-3.95,;-8.78,-2.51,;-7.83,-1.31,;-6.3,-1.53,;-5.73,-2.96,;-8.39,.13,;-9.89,.51,;-11.07,-.48,;-12.52,.06,;-12.78,1.57,;-13.7,-.93,;-13.44,-2.44,;-14.63,-3.43,;-16.07,-2.89,;-16.33,-1.38,;-15.15,-.39,;-17.77,-.84,;-18.96,-1.83,;-19.22,-.31,;-18.03,.68,;-9.99,2.04,;-8.55,2.61,;-8.02,4.06,;-6.5,4.32,;-5.97,5.76,;-4.45,6.02,;-3.47,4.83,;-1.95,5.09,;-1.41,6.54,;.1,6.8,;1.15,5.67,;.7,4.2,;1.75,3.07,;3.25,3.41,;4.3,2.28,;5.8,2.63,;6.85,1.5,;8.35,1.84,;8.84,3.3,;10.35,3.6,;11.37,2.45,;12.91,2.45,;13.82,3.69,;13.37,.99,;14.83,.51,;15.14,-1,;16.61,-1.48,;17.76,-.45,;19.22,-.93,;17.44,1.05,;15.98,1.53,;15.66,3.04,;12.11,.07,;12.1,-1.47,;10.87,.99,;9.36,.69,;3.7,4.88,;2.65,6.01,;-2.4,7.72,;-3.92,7.46,;-5.52,3.13,;-6.05,1.69,;-7.57,1.43,)|
Structure:
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