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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50466834
Substrate
n/a
Meas. Tech.
ChEMBL_1794356 (CHEMBL4266473)
IC50
141±n/a nM
Citation
 Degorce, SL; Anjum, R; Dillman, KS; Drew, L; Groombridge, SD; Halsall, CT; Lenz, EM; Lindsay, NA; Mayo, MF; Pink, JH; Robb, GR; Scott, JS; Stokes, S; Xue, Y Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4. Bioorg Med Chem 26:913-924 (2018) [PubMed]  Article 
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:
BDBM50466834
Synonyms:
CHEMBL4293607
Type:
Small organic molecule
Emp. Form.:
C22H33N7O2
Mol. Mass.:
427.5431
SMILES:
C[C@H](CC(N)=O)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:18.21,wD:15.14,1.0,(7.98,-9.32,;9.49,-9.63,;10.51,-8.48,;10.03,-7.02,;11.05,-5.87,;8.52,-6.71,;9.97,-11.09,;9.07,-12.34,;9.98,-13.58,;11.44,-13.1,;12.78,-13.87,;14.12,-13.1,;14.11,-11.55,;12.77,-10.79,;12.77,-9.25,;14.1,-8.47,;15.44,-9.25,;16.76,-8.48,;16.77,-6.93,;15.44,-6.15,;14.1,-6.94,;18.09,-6.18,;18.11,-4.64,;19.46,-3.88,;20.78,-4.68,;20.76,-6.23,;19.41,-6.97,;22.13,-3.93,;23.45,-4.73,;22.16,-2.39,;11.44,-11.56,)|
Structure:
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