Reaction Details  Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50579722
Substrate
n/a
Meas. Tech.
ChEMBL_2145199 (CHEMBL5029479)
IC50
443±n/a nM
Citation
 Fu, L; Zhang, J; Shen, B; Kong, L; Liu, Y; Tu, W; Wang, W; Cai, X; Wang, X; Cheng, N; Xia, M; Zhou, T; Liu, Q; Xu, Y; Yang, J; Gavine, P; Philippar, U; Attar, R; Edwards, JP; Venable, JD; Dai, X Discovery of Highly Potent and Selective IRAK1 Degraders to Probe Scaffolding Functions of IRAK1 in ABC DLBCL. J Med Chem 64:10878-10889 (2021) [PubMed]  Article
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:
BDBM50579722
Synonyms:
CHEMBL4762381
Type:
Small organic molecule
Emp. Form.:
C46H55N9O7S
Mol. Mass.:
878.05
SMILES:
COc1cc(ccc1NC(=O)c1cccc(n1)-c1ccn[nH]1)N1CCC(CC1)OCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)C(C)(C)C |r|
Structure:
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