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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM647499
Substrate
n/a
Meas. Tech.
Measurement of Human IRAK-4 Inhibitory Activity
IC50
0.880±n/a nM
Citation
 ARAI, K; TAKABA, K; ATOBE, M; TAKASHIMA, M; AONO, N; POTTER, AJ; MADDOX, DP PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND US Patent  US20240025893 Publication Date 1/25/2024
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:
BDBM647499
Synonyms:
US20240025893, Example b-04-25
Type:
Small organic molecule
Emp. Form.:
C30H38N6O4S
Mol. Mass.:
578.726
SMILES:
CCCOCc1ncc(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H](C3)N3CCN(C[C@@H]3C)C(=O)C3CCOC3)sc2c1 |r,wU:22.25,20.20,29.32,(15.34,-3.03,;14.01,-2.26,;12.67,-3.03,;11.34,-2.26,;10.01,-3.03,;8.67,-2.26,;7.34,-3.03,;6,-2.26,;6,-.72,;7.34,.05,;8.67,-.72,;4.67,.05,;4.67,1.59,;3.34,2.36,;2,1.59,;.54,2.06,;-.37,.82,;-1.91,.82,;-2.68,-.52,;-1.91,-1.85,;-4.22,-.52,;-5.31,.57,;-6.39,-.52,;-5.31,-1.61,;-7.93,-.52,;-8.7,.82,;-10.25,.82,;-11.01,-.52,;-10.25,-1.85,;-8.7,-1.85,;-7.93,-3.19,;-12.55,-.52,;-13.32,-1.85,;-13.32,.82,;-12.85,2.28,;-14.09,3.19,;-15.34,2.28,;-14.86,.82,;.54,-.43,;2,.05,;3.34,-.72,)|
Structure:
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