Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetInterleukin-1 receptor-associated kinase 4
LigandBDBM347922
Substrate/Competitorn/a
Meas. Tech.Enzymatic Assay
IC50<100±n/a nM
Citation Jorand-Lebrun, CJones, RWon, ACNguyen, NJohnson, TLDeselm, LCPanda, K Heteroaryl compounds as IRAK inhibitors and uses thereof US Patent US9790221 Publication Date 10/17/2017
More Info.:Get all data from this article,  Assay Method
 
Interleukin-1 receptor-associated kinase 4
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:
MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALL
QTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITV
QQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNF
DERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKC
QHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGIN
FLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEAL
RGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMND
ADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM347922
n/a
NameBDBM347922
Synonyms:US9790221, Compound 128
TypeSmall organic molecule
Emp. Form.C23H26N8S
Mol. Mass.446.571
SMILESCc1nnc(s1)-c1cnc(nc1NC1CCC(N)CC1)-c1cccc(c1)-c1cnn(C)c1 |(-5.09,-8.14,;-4.31,-6.81,;-2.77,-6.81,;-2.29,-5.35,;-3.53,-4.44,;-4.78,-5.34,;-3.53,-2.9,;-4.86,-2.13,;-4.86,-.59,;-3.52,.18,;-2.19,-.59,;-2.2,-2.13,;-.86,-2.91,;.62,-2.51,;1.71,-3.6,;3.2,-3.2,;3.6,-1.71,;5.09,-1.31,;2.51,-.62,;1.02,-1.02,;-3.52,1.72,;-4.85,2.49,;-4.85,4.03,;-3.51,4.8,;-2.18,4.03,;-2.18,2.49,;-.85,4.79,;.62,4.31,;1.53,5.56,;.62,6.8,;1.39,8.14,;-.84,6.33,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: