BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetInterleukin-1 receptor-associated kinase 4
LigandBDBM643839
Substrate/Competitorn/a
Meas. Tech.Potency of IRAK4 Inhibitor Compounds in IRAK4 Enzyme Assay
IC50 0.700±n/a nM
Citation Terstiege, ISchiesser, SXue, YChang, HBerggren, AI Substituted indazoles as IRAK4 inhibitors US Patent US11866405 Publication Date 1/9/2024
More Info.:Get all data from this article,  Assay Method
 
Interleukin-1 receptor-associated kinase 4
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:
MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALL
QTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITV
QQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNF
DERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKC
QHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGIN
FLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEAL
RGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMND
ADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM643839
n/a
NameBDBM643839
Synonyms:US11866405, Example 102
TypeSmall organic molecule
Emp. Form.C23H23N9O2
Mol. Mass.457.4878
SMILESCOc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)n1ccnn1 |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,-1.4,;-10.99,-.93,;-10.99,.61,;-9.53,1.09,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: