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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM647512
Substrate
n/a
Meas. Tech.
Measurement of Human IRAK-4 Inhibitory Activity
IC50
0.850±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:
BDBM647512
Synonyms:
US20240025893, Example b-04-38
Type:
Small organic molecule
Emp. Form.:
C32H36N8O4S
Mol. Mass.:
628.744
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)c1cncnc1 |r,wU:29.32,7.7,9.12,1.0,wD:33.38,(-7.64,-2.25,;-8.41,-.92,;-9.96,-.92,;-10.72,.41,;-9.96,1.75,;-8.41,1.75,;-7.64,.41,;-6.1,.41,;-5.01,1.5,;-3.92,.41,;-5.01,-.68,;-2.38,.41,;-1.61,-.92,;-1.61,1.75,;-.07,1.75,;.83,2.99,;2.3,2.52,;3.63,3.29,;4.97,2.52,;4.97,.98,;3.63,.21,;2.3,.98,;.83,.5,;6.3,.21,;6.3,-1.33,;7.63,-2.1,;8.97,-1.33,;10.3,-2.1,;11.63,-1.33,;12.97,-2.1,;14.43,-1.63,;15.34,-2.87,;14.43,-4.12,;12.97,-3.64,;11.63,-4.41,;8.97,.21,;7.63,.98,;-12.26,.41,;-13.03,-.92,;-13.03,1.75,;-12.26,3.08,;-13.03,4.41,;-14.57,4.41,;-15.34,3.08,;-14.57,1.75,)|
Structure:
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