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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM206106
Substrate
IRAK-4 Peptide Substrate
Meas. Tech.
In vitro IRAK-1 and IRAK-4 Assay
IC50
24±n/a nM
Citation
 Arora, N; Chen, S; Hermann, JC; Kuglstatter, A; Labadie, SS; Lin, CJ; Lucas, MC; Moore, AG; Papp, E; Talamas, FX; Wanner, J; Zhai, Y Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators US Patent  US9255110 Publication Date 2/9/2016 
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:
BDBM206106
Synonyms:
US9255110, 19
Type:
Small organic molecule
Emp. Form.:
C22H20N4O3S
Mol. Mass.:
420.484
SMILES:
OC1CCC(CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 |(5.35,-5.99,;4.26,-4.9,;2.78,-5.3,;1.69,-4.21,;2.09,-2.73,;3.57,-2.33,;4.66,-3.42,;1,-1.64,;-.49,-2.04,;-.89,-3.52,;-2.38,-3.92,;-2.78,-5.41,;-4.26,-5.81,;-5.35,-4.72,;-4.95,-3.23,;-3.47,-2.83,;-3.07,-1.35,;-1.58,-.95,;-1.18,.54,;-1.95,1.87,;-3.49,1.87,;-1.18,3.21,;-2.09,4.45,;-1.18,5.7,;.28,5.22,;1.62,5.99,;2.95,5.22,;2.95,3.68,;1.62,2.91,;.28,3.68,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
IRAK-4 Peptide Substrate
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
2290.62
Organism:
Homo sapiens (Human)
Description:
IRAK-1 (360-380); IRAK-4 Peptide Substrate
Residue:
21
Sequence:
KKARFSRFAGSSPSQSSMVAR