Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM206099
Substrate
IRAK-4 Peptide Substrate
Meas. Tech.
In vitro IRAK-1 and IRAK-4 Assay
IC50
11±n/a nM
Citation
 Arora, N; Chen, S; Hermann, JC; Kuglstatter, A; Labadie, SS; Lin, CJ; Lucas, MC; Moore, AG; Papp, E; Talamas, FX; Wanner, J; Zhai, Y Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators US Patent  US9255110 Publication Date 2/9/2016 
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:
BDBM206099
Synonyms:
US9255110, 12
Type:
Small organic molecule
Emp. Form.:
C22H20N4O3S
Mol. Mass.:
420.484
SMILES:
O[C@H]1CC[C@@H](CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 |r,wU:4.7,wD:1.0,(5.35,-5.95,;4.26,-4.86,;4.66,-3.37,;3.57,-2.28,;2.09,-2.68,;1.69,-4.17,;2.78,-5.26,;1,-1.59,;-.49,-1.99,;-.89,-3.48,;-2.38,-3.88,;-2.78,-5.36,;-4.26,-5.76,;-5.35,-4.67,;-4.95,-3.19,;-3.47,-2.79,;-3.07,-1.3,;-1.58,-.9,;-1.18,.59,;-2.27,1.67,;-3.76,1.28,;-1.87,3.16,;-2.78,4.41,;-1.87,5.65,;-.41,5.18,;.93,5.95,;2.26,5.18,;2.26,3.64,;.93,2.87,;-.41,3.64,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
IRAK-4 Peptide Substrate
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
2290.62
Organism:
Homo sapiens (Human)
Description:
IRAK-1 (360-380); IRAK-4 Peptide Substrate
Residue:
21
Sequence:
KKARFSRFAGSSPSQSSMVAR