Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM393939
Substrate
n/a
Meas. Tech.
Kinase Assay
IC50
9.00±n/a nM
Citation
 Altman, MD; Andresen, BM; Brubaker, JD; Childers, ML; Donofrio, A; Fischmann, T; Gibeau, CR; Kattar, SD; Lesburg, CA; Lim, J; MacLean, JK; Mansoor, UF; Northrup, AB; Sanders, JM; Torres, L Inhibitors of IRAK4 activity US Patent  US9969749 Publication Date 5/15/2018 
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:
BDBM393939
Synonyms:
US9969749, Example 1-32 | trans-N'-6-(isoxazol-4- yl)quinazolin-4-yl]-N,N- dimethylcyclohexane- 1,4-diamine
Type:
Small organic molecule
Emp. Form.:
C19H25N5O
Mol. Mass.:
339.4347
SMILES:
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(=C\O)\C=N |r,wU:3.2,wD:6.9,(4.62,-5.85,;3.08,-5.85,;2.31,-7.19,;2.31,-4.52,;.77,-4.52,;,-3.19,;.77,-1.85,;2.31,-1.85,;3.08,-3.19,;,-.52,;-1.54,-.52,;-2.31,-1.85,;-3.85,-1.85,;-4.62,-.52,;-3.85,.82,;-4.62,2.15,;-3.85,3.48,;-2.31,3.48,;-1.54,2.15,;-2.31,.82,;-1.54,4.82,;,4.82,;.48,6.28,;-2.02,6.28,;-.77,7.19,)|
Structure:
Search PDB for entries with ligand similarity: