Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM384641
Substrate
n/a
Meas. Tech.
Kinase Assay
IC50
10.00±n/a nM
Citation
 Altman, MD; Brubaker, JD; Childers, ML; Donofrio, A; Fischmann, T; Gibeau, CR; Kattar, SD; Lesburg, CA; Lim, J; Maclean, JK; Mansoor, UF; Northrup, AB; Sanders, JM; Smith, GF Inhibitors of IRAK4 activity US Patent  US9932350 Publication Date 4/3/2018 
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:
BDBM384641
Synonyms:
4-[(trans-4-{4-[(3- fluorocyclobutyl)carbonyl] piperazin-1- yl}cyclohexyl)amino] quinazoline-6-carbonitrile | US9932350, 6-13
Type:
Small organic molecule
Emp. Form.:
C24H29FN6O
Mol. Mass.:
436.5251
SMILES:
FC1CC(C1)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:16.21,wD:13.14,(7.63,-7.34,;6.09,-7.34,;5,-6.25,;3.92,-7.34,;5,-8.42,;2.38,-7.34,;1.61,-8.67,;1.61,-6,;.07,-6,;-.7,-4.67,;.07,-3.33,;1.61,-3.33,;2.38,-4.67,;-.7,-2,;.07,-.67,;-.7,.67,;-2.24,.67,;-3.01,-.67,;-2.24,-2,;-3.01,2,;-4.55,2,;-5.32,.67,;-6.86,.67,;-7.63,2,;-6.86,3.33,;-7.63,4.67,;-6.86,6,;-5.32,6,;-4.55,4.67,;-5.32,3.33,;-4.55,7.34,;-3.78,8.67,)|
Structure:
Search PDB for entries with ligand similarity: