Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM504422
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 More Info.:
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:
BDBM504422
Synonyms:
N-(5-((4-(2-(2-((2-(2,6- dioxopiperidin-3-yl)-1- oxoisoindolin-5- yl)oxy)ethoxy)ethyl)piperazin- 1-yl)methyl)-1-((1s,4s)-4- (hydroxymethyl)cyclohexyl)- 1H-benzo[d]imidazol-2-yl)- 3- (trifluoromethyl)benzamide | US11065231, Example 6
Type:
Small organic molecule
Emp. Form.:
C44H50F3N7O7
Mol. Mass.:
845.9057
SMILES:
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CCOCCOc4ccc5C(=O)N(Cc5c4)C4CCC(=O)NC4=O)CC3)ccc12 |r,wU:2.1,5.8,(-8.72,-4.57,;-7.4,-3.79,;-7.4,-2.25,;-8.74,-1.49,;-8.75,.05,;-7.42,.83,;-6.08,.07,;-6.07,-1.47,;-7.43,2.37,;-8.67,3.28,;-10.17,2.88,;-11.32,3.9,;-11.01,5.41,;-12.78,3.42,;-13.1,1.91,;-14.56,1.43,;-15.71,2.45,;-15.4,3.96,;-13.93,4.44,;-16.55,4.99,;-18.01,4.5,;-17.7,6.01,;-16.23,6.49,;-8.19,4.74,;-6.65,4.74,;-5.61,5.88,;-4.11,5.55,;-3.07,6.69,;-1.57,6.37,;-1.1,4.9,;.41,4.57,;1.44,5.72,;2.95,5.39,;3.42,3.92,;4.92,3.6,;5.32,2.11,;6.81,1.71,;7.21,.22,;8.69,-.17,;9.64,1.04,;11.16,.83,;11.75,-.59,;13.19,-1.12,;14.47,-.25,;13.14,-2.66,;11.66,-3.09,;10.8,-1.81,;9.27,-1.6,;14.36,-3.6,;15.79,-3.02,;17,-3.97,;16.79,-5.49,;18.01,-6.44,;15.37,-6.07,;14.15,-5.13,;12.72,-5.71,;.97,7.18,;-.54,7.51,;-3.64,4.08,;-4.67,2.94,;-6.18,3.27,)|
Structure:
