Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM507688
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:
BDBM507688
Synonyms:
N-((1r,4r)-4-(5-(6-(3- cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((3- methyloxetan-3- yl)amino)pyridin-3-yl)- 1,3,4-thiadiazol-2- yl)cyclohexyl)acetamide | US11046686, Example 3
Type:
Small organic molecule
Emp. Form.:
C27H28N8O2S
Mol. Mass.:
528.629
SMILES:
CC(=O)NC1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NC1(C)COC1)-c1ccc2cc(cnn12)C#N |r,wU:7.10,(-11.84,.06,;-10.3,.06,;-9.53,-1.27,;-9.53,1.39,;-7.99,1.39,;-7.22,.06,;-5.68,.06,;-4.91,1.39,;-5.68,2.73,;-7.22,2.73,;-3.37,1.39,;-2.46,2.64,;-1,2.16,;-1,.62,;-2.46,.15,;.33,-.15,;.33,-1.69,;1.67,-2.46,;3,-1.69,;3,-.15,;1.67,.62,;1.67,2.16,;3,2.93,;3,4.47,;3.4,1.45,;4.89,1.84,;4.49,3.33,;4.34,-2.46,;4.34,-4,;5.8,-4.47,;6.71,-3.23,;8.24,-3.07,;8.86,-1.66,;7.96,-.41,;6.43,-.57,;5.8,-1.98,;10.35,-1.26,;11.84,-.86,)|
Structure:
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