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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM609060
Substrate
n/a
Meas. Tech.
Biological 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 inhibitors US Patent  US11702414 Publication Date 7/18/2023 
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:
BDBM609060
Synonyms:
N-((1R,4r)-4-(5-(6-(3- cyanopyrrolo[1,2- b]pyridazin-7-yl)-4- ((1r,4R)-4-(5- (difluoromethyl)-1,3,4- oxadiazol-2- yl)cyclohexyl)amino) pyridin-3-yl)-1,3,4- thiadiazol-2- yl)cyclohexyl)acetamide | US11702414, Example 2
Type:
Small organic molecule
Emp. Form.:
C32H32F2N10O2S
Mol. Mass.:
658.724
SMILES:
CC(=O)N[C@H]1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1nnc(o1)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:22.24,7.10,wD:25.31,4.3,(-11.87,-.95,;-10.34,-.81,;-9.69,.58,;-9.46,-2.07,;-7.92,-1.94,;-7.04,-3.2,;-5.51,-3.07,;-4.85,-1.67,;-5.74,-.41,;-7.27,-.54,;-3.32,-1.54,;-2.53,-.22,;-1.03,-.56,;-.89,-2.1,;-2.31,-2.7,;.44,-2.87,;.44,-4.41,;1.77,-5.18,;3.11,-4.41,;3.11,-2.87,;1.77,-2.1,;1.77,-.56,;3.11,.21,;3.11,1.75,;4.44,2.52,;5.78,1.75,;5.78,.21,;4.44,-.56,;7.11,2.52,;8.52,1.9,;9.55,3.04,;8.78,4.38,;7.27,4.06,;9.4,5.78,;8.5,7.03,;10.93,5.94,;4.44,-5.18,;4.6,-6.71,;6.11,-7.03,;6.88,-5.69,;8.39,-5.37,;8.86,-3.91,;7.83,-2.77,;6.33,-3.09,;5.85,-4.55,;10.37,-3.59,;11.87,-3.27,)|
Structure:
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