Reaction Details
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Report a problem with these dataTarget
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM504426
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
650±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:
BDBM504426
Synonyms:
(2S,4R)-4-hydroxy-1-((S)-2- (2-(2-(4-((1-((1SR,4SR)-4- (hydroxymethyl)cyclohexyl)- 2-(3- (trifluoromethyl)benzamido)- 1H-benzo[d]imidazol-5- yl)methyl)piperazin-1- yl)ethoxy)acetamido)-3,3- dimethylbutanoyl)-N-(4-(4- methylthiazol-5- yl)benzyl)pyrrolidine-2- carboxamide | US11065231, Example 11
Type:
Small organic molecule
Emp. Form.:
C53H66F3N9O7S
Mol. Mass.:
1030.207
SMILES:
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCN2CCN(Cc3ccc4n(C5CC[C@H](CO)CC5)c(NC(=O)c5cccc(c5)C(F)(F)F)nc4c3)CC2)C(C)(C)C)cc1 |r,wU:43.45,22.24,14.14,wD:16.17,(17.68,-2.38,;16.35,-3.15,;16.19,-4.69,;14.68,-5.01,;13.91,-3.67,;14.94,-2.53,;14.62,-1.02,;13.15,-.55,;12.83,.96,;13.98,1.99,;13.66,3.5,;12.19,3.97,;11.87,5.48,;13.02,6.51,;10.41,5.96,;9.93,7.42,;8.39,7.42,;7.49,8.67,;7.92,5.96,;9.16,5.05,;9.16,3.51,;10.5,2.74,;7.83,2.74,;7.83,1.2,;6.5,.43,;5.16,1.2,;6.5,-1.11,;5.16,-1.88,;3.83,-1.11,;2.5,-1.88,;1.16,-1.11,;-.17,-1.88,;-1.51,-1.11,;-1.51,.43,;-2.84,1.2,;-4.17,.43,;-4.17,-1.11,;-5.51,-1.88,;-6.84,-1.11,;-8.31,-1.59,;-8.78,-3.05,;-10.29,-3.37,;-10.76,-4.83,;-9.73,-5.98,;-10.21,-7.44,;-11.72,-7.76,;-8.23,-5.66,;-7.75,-4.19,;-9.21,-.34,;-10.75,-.34,;-11.52,.99,;-10.75,2.33,;-13.06,.99,;-13.83,-.34,;-15.37,-.34,;-16.14,.99,;-15.37,2.33,;-13.83,2.33,;-16.14,3.66,;-17.68,3.66,;-16.91,5,;-15.37,5,;-8.31,.91,;-6.84,.43,;-5.51,1.2,;-.17,1.2,;1.16,.43,;6.5,3.51,;5.16,2.74,;6.5,5.05,;5.16,4.28,;15.44,1.52,;15.76,.01,)|
Structure:
