Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50612197
Substrate
n/a
Meas. Tech.
ChEMBL_2286276
IC50
4.0±n/a nM
Citation
 Degorce, SL; Aagaard, A; Anjum, R; Cumming, IA; Dične, CR; Fallan, C; Johnson, T; Leuchowius, KJ; Orton, AL; Pearson, S; Robb, GR; Rosen, A; Scarfe, GB; Scott, JS; Smith, JM; Steward, OR; Terstiege, I; Tucker, MJ; Turner, P; Wilkinson, SD; Wrigley, GL; Xue, Y Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg Med Chem 28:0 (2020) [PubMed] 
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:
BDBM50612197
Synonyms:
CHEMBL5290338
Type:
Small organic molecule
Emp. Form.:
C26H28FN9O
Mol. Mass.:
501.5586
SMILES:
[H][C@]12CN(C)[C@]([H])(C[C@H]1n1cc(Nc3nc(OC4(C)CC4)c4nc(c(F)cc4n3)-c3cnc(C)nc3)cn1)C2 |r|
Structure:
Search PDB for entries with ligand similarity: