Reaction Details
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Report a problem with these dataTarget
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM507703
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 More Info.:
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:
BDBM507703
Synonyms:
N-((1r,4r)-4-(5-(4- ((cyanomethyl)amino)- 6-(3-cyanopyrrolo[1,2- b]pyridazin-7- yl)pyridin-3-yl)-1,3,4- thiadiazol-2- yl)cyclohexyl)acetamide | US11046686, Example 20
Type:
Small organic molecule
Emp. Form.:
C25H23N9OS
Mol. Mass.:
497.575
SMILES:
CC(=O)NC1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NCC#N)-c1ccc2cc(cnn12)C#N |r,wU:7.10,(-11.52,-1.32,;-10.03,-.92,;-8.95,-2.01,;-9.64,.57,;-8.15,.97,;-7.06,-.12,;-5.57,.28,;-5.17,1.76,;-6.26,2.85,;-7.75,2.45,;-3.69,2.16,;-2.78,3.41,;-1.32,2.93,;-1.32,1.39,;-2.78,.92,;.02,.62,;.02,-.92,;1.35,-1.69,;2.69,-.92,;2.69,.62,;1.35,1.39,;1.35,2.93,;2.69,3.7,;4.02,2.93,;5.35,2.16,;4.02,-1.69,;4.02,-3.23,;5.48,-3.7,;6.39,-2.46,;7.92,-2.3,;8.55,-.89,;7.64,.36,;6.11,.2,;5.48,-1.21,;10.03,-.49,;11.52,-.09,)|
Structure:
