Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM504490
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:
BDBM504490
Synonyms:
N-(5-((4-((4-((2-(2,6- dioxopiperidin-3-yl)-1,3- dioxoisoindolin-5- yl)oxy)cycloethyl)methyl) piperazin-1-yl)methyl)-1- ((1s,4s)-4- (hydroxymethyl)cyclohexyl)- 1H-benzo[d]imidazol-2-yl)- 3- (trifluoromethyl)benzamide | US11065231, Example 67
Type:
Small organic molecule
Emp. Form.:
C47H52F3N7O7
Mol. Mass.:
883.9537
SMILES:
OC[C@H]1CCC(CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CC4CCC(CC4)Oc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)ccc12 |r,wU:2.1,(-13.06,-6.2,;-11.55,-5.88,;-11.07,-4.41,;-12.1,-3.27,;-11.63,-1.8,;-10.12,-1.48,;-9.09,-2.63,;-9.57,-4.09,;-9.65,-.02,;-10.55,1.23,;-12.09,1.23,;-12.86,2.56,;-12.09,3.89,;-14.4,2.56,;-15.17,1.23,;-16.71,1.23,;-17.48,2.56,;-16.71,3.89,;-15.17,3.89,;-17.48,5.23,;-16.71,6.56,;-19.02,5.23,;-18.25,6.56,;-9.65,2.47,;-8.18,2,;-6.85,2.77,;-5.51,2,;-4.18,2.77,;-2.85,2,;-2.85,.46,;-1.51,-.31,;-.18,.46,;1.15,-.31,;2.49,.46,;3.82,-.31,;5.16,.46,;5.16,2,;3.82,2.77,;2.49,2,;6.49,2.77,;7.82,2,;7.82,.46,;9.16,-.31,;10.49,.46,;11.96,-.02,;12.43,-1.48,;12.86,1.23,;14.4,1.23,;15.17,2.56,;16.71,2.56,;17.48,1.23,;19.02,1.23,;16.71,-.11,;15.17,-.11,;14.4,-1.44,;11.96,2.47,;12.43,3.94,;10.49,2,;9.16,2.77,;-.18,2,;-1.51,2.77,;-5.51,.46,;-6.85,-.31,;-8.18,.46,)|
Structure:
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