Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM504457
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
>1000±n/a nM
Citation
 Crew, AP; Araujo, E Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides US Patent  US11065231 Publication Date 7/20/2021 
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:
BDBM504457
Synonyms:
4-((1s,4s)-4-(4-((2-(2-(2- ((2-(2,6-dioxopiperidin-3- yl)-1,3-dioxoisoindolin-5- yl)oxy)ethoxy)ethoxy)ethyl) sulfonyl)piperazin-1- yl)cyclohexyl)amino) quinazoline-6-carbonitrile | US11065231, Example 37
Type:
Small organic molecule
Emp. Form.:
C38H44N8O9S
Mol. Mass.:
788.869
SMILES:
O=C1N(C2CCC(=O)NC2=O)C(=O)c2cc(OCCOCCOCCS(=O)(=O)N3CCN(CC3)[C@@H]3CC[C@@H](CC3)Nc3ncnc4ccc(cc34)C#N)ccc12 |r,wU:37.42,34.35,(11.16,-1.48,;10.02,-2.51,;10.18,-4.05,;11.51,-4.82,;12.85,-4.05,;14.18,-4.82,;14.18,-6.36,;15.51,-7.13,;12.85,-7.13,;11.51,-6.36,;10.18,-7.13,;8.77,-4.67,;8.45,-6.18,;7.74,-3.53,;6.2,-3.53,;5.43,-2.19,;3.89,-2.19,;3.12,-.86,;3.89,.47,;3.12,1.81,;3.89,3.14,;3.12,4.47,;3.89,5.81,;3.12,7.14,;1.58,7.14,;.49,8.23,;-.6,9.32,;1.83,9,;-.84,7.46,;-.84,5.92,;-2.18,5.15,;-3.51,5.92,;-3.51,7.46,;-2.18,8.23,;-4.84,5.15,;-6.18,5.92,;-7.51,5.15,;-7.51,3.61,;-6.18,2.84,;-4.84,3.61,;-8.84,2.84,;-8.84,1.3,;-7.51,.53,;-7.51,-1.01,;-8.84,-1.78,;-10.18,-1.01,;-11.51,-1.78,;-12.85,-1.01,;-12.85,.53,;-11.51,1.3,;-10.18,.53,;-14.18,1.3,;-15.51,2.07,;6.2,-.86,;7.74,-.86,;8.51,-2.19,)|
Structure:
Search PDB for entries with ligand similarity: