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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM643841
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:
BDBM643841
Synonyms:
US11866405, Example 103
Type:
Small organic molecule
Emp. Form.:
C23H23N9O2
Mol. Mass.:
457.4878
SMILES:
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)n1nccn1 |r,wU:26.33,wD:23.26,(3.91,-3.24,;3.91,-1.7,;2.57,-.93,;1.24,-1.7,;-.09,-.93,;-1.56,-1.4,;-2.46,-.16,;-1.56,1.09,;-.09,.61,;1.24,1.38,;2.57,.61,;3.91,1.38,;3.91,2.92,;5.24,.61,;6.57,1.38,;6.74,2.92,;8.24,3.24,;9.01,1.9,;10.52,1.58,;10.99,.12,;9.96,-1.03,;8.46,-.71,;7.98,.76,;-4,-.16,;-4.77,1.18,;-6.31,1.18,;-7.08,-.16,;-6.31,-1.49,;-4.77,-1.49,;-8.62,-.16,;-9.53,1.09,;-10.99,.61,;-10.99,-.93,;-9.53,-1.4,)|
Structure:
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