Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM507704
Substrate
n/a
Meas. Tech.
IRAK4 Biochemical Assay
IC50
<1.000±n/a nM
Citation
 Ammann, S; Bacon, EM; Brizgys, G; Chin, E; Chou, C; Cottell, JJ; Ndukwe, M; Shatskikh, M; Taylor, JG; Wright, NE; Yang, Z; Zipfel, SM Thiadiazole IRAK4 compounds US Patent  US11046686 Publication Date 6/29/2021 
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:
BDBM507704
Synonyms:
N-((1r,4r)-4-(5-(6-(3- cyanopyrrolo[1,2- b]pyridazin-7-yl)-4- (oxetan-3- ylamino)pyridin-3-yl)- 1,3,4-thiadiazol-2- yl)cyclohexyl)acetamide | US11046686, Example 21
Type:
Small organic molecule
Emp. Form.:
C26H26N8O2S
Mol. Mass.:
514.602
SMILES:
CC(=O)NC1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |r,wU:7.10,(-11.52,-2.06,;-10.03,-1.66,;-8.95,-2.75,;-9.64,-.18,;-8.15,.22,;-7.06,-.87,;-5.57,-.47,;-5.17,1.02,;-6.26,2.11,;-7.75,1.71,;-3.69,1.42,;-2.78,2.67,;-1.32,2.19,;-1.32,.65,;-2.78,.17,;.02,-.12,;.02,-1.66,;1.35,-2.43,;2.69,-1.66,;2.69,-.12,;1.35,.65,;1.35,2.19,;2.69,2.96,;4.17,2.56,;4.57,4.05,;3.08,4.45,;4.02,-2.43,;4.02,-3.97,;5.48,-4.45,;6.39,-3.2,;7.92,-3.04,;8.55,-1.63,;7.64,-.39,;6.11,-.55,;5.48,-1.95,;10.03,-1.23,;11.52,-.84,)|
Structure:
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