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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM647520
Substrate
n/a
Meas. Tech.
Measurement of Human IRAK-4 Inhibitory Activity
IC50
0.580±n/a nM
Citation
 ARAI, K; TAKABA, K; ATOBE, M; TAKASHIMA, M; AONO, N; POTTER, AJ; MADDOX, DP PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND US Patent  US20240025893 Publication Date 1/25/2024
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:
BDBM647520
Synonyms:
US20240025893, Example b-04-46
Type:
Small organic molecule
Emp. Form.:
C33H36FN7O4S
Mol. Mass.:
645.747
SMILES:
C[C@H]1CN(CCN1[C@H]1C[C@H](C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1)C(=O)c1cc(F)ccn1 |r,wU:29.32,7.7,9.12,1.0,wD:33.38,(-7.64,-2.92,;-8.41,-1.59,;-9.96,-1.59,;-10.72,-.25,;-9.96,1.08,;-8.41,1.08,;-7.64,-.25,;-6.1,-.25,;-5.01,.83,;-3.92,-.25,;-5.01,-1.34,;-2.38,-.25,;-1.61,-1.59,;-1.61,1.08,;-.07,1.08,;.83,2.33,;2.3,1.85,;3.63,2.62,;4.97,1.85,;4.97,.31,;3.63,-.46,;2.3,.31,;.83,-.17,;6.3,-.46,;6.3,-2,;7.63,-2.77,;8.97,-2,;10.3,-2.77,;11.63,-2,;12.97,-2.77,;14.43,-2.29,;15.34,-3.54,;14.43,-4.79,;12.97,-4.31,;11.63,-5.08,;8.97,-.46,;7.63,.31,;-12.26,-.25,;-13.03,-1.59,;-13.03,1.08,;-12.26,2.41,;-13.03,3.75,;-12.26,5.08,;-14.57,3.75,;-15.34,2.41,;-14.57,1.08,)|
Structure:
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