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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM643792
Substrate
n/a
Meas. Tech.
Potency of IRAK4 Inhibitor Compounds in IRAK4 Enzyme Assay
IC50
0.600±n/a nM
Citation
 Terstiege, I; Schiesser, S; Xue, Y; Chang, H; Berggren, AI Substituted indazoles as IRAK4 inhibitors US Patent  US11866405 Publication Date 1/9/2024 
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:
BDBM643792
Synonyms:
US11866405, Example 16
Type:
Small organic molecule
Emp. Form.:
C27H30N6O3
Mol. Mass.:
486.5655
SMILES:
CC1(O)C[C@@]2(C1)CC[C@@H](CC2)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r,wU:8.12,4.4,(-10.67,7.99,;-9.58,6.9,;-10.67,5.81,;-8.49,5.81,;-7.41,6.9,;-8.49,7.99,;-6.64,5.56,;-5.1,5.56,;-4.33,6.9,;-5.1,8.23,;-6.64,8.23,;-2.79,6.9,;-1.88,8.14,;-.42,7.67,;.92,8.44,;2.25,7.67,;3.59,8.44,;3.59,9.98,;4.92,7.67,;6.25,8.44,;6.41,9.97,;7.92,10.29,;8.69,8.95,;10.2,8.63,;10.67,7.17,;9.64,6.03,;8.14,6.35,;7.66,7.81,;2.25,6.13,;3.59,5.36,;3.59,3.82,;2.82,2.48,;4.36,2.48,;.92,5.36,;-.42,6.13,;-1.88,5.65,)|
Structure:
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