Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM504430
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
<30±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:
BDBM504430
Synonyms:
(2S,4R)-1-((S)-2-(tert-butyl)- 17-(4-((1-((1SR,4SR)-4- (hydroxymethyl)cyclohexyl)- 2-(3- (trifluoromethyl)benzamido)- 1H-benzo[d]imidazol-5- yl)methyl)piperazin-1-yl)-4- oxo-6,9,12-tetraoxa-3- azatetradecanoyl)-4- hydroxy-N-(4-(4- methylthiazol-5- yl)benzyl)pyrrolidine-2- carboxamide | US11065231, Example 14
Type:
Small organic molecule
Emp. Form.:
C59H78F3N9O10S
Mol. Mass.:
1162.365
SMILES:
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN2CCN(Cc3ccc4n(C5CC[C@H](CO)CC5)c(NC(=O)c5cccc(c5)C(F)(F)F)nc4c3)CC2)C(C)(C)C)cc1 |r,wU:52.54,22.24,14.14,wD:16.17,(17.65,-8.15,;16.31,-7.38,;14.91,-8.01,;13.88,-6.86,;14.65,-5.53,;16.15,-5.85,;17.3,-4.82,;16.98,-3.31,;18.12,-2.28,;19.59,-2.76,;20.73,-1.73,;20.41,-.22,;21.56,.81,;23.02,.33,;21.24,2.31,;22.27,3.46,;21.5,4.79,;22.12,6.2,;19.99,4.47,;19.83,2.94,;18.49,2.17,;18.49,.63,;17.16,2.94,;15.83,2.17,;14.49,2.94,;14.49,4.48,;13.16,2.17,;11.83,2.94,;10.49,2.17,;9.16,2.94,;7.83,2.17,;6.49,2.94,;5.16,2.17,;3.82,2.94,;2.49,2.17,;1.16,2.94,;-.18,2.17,;-1.51,2.94,;-2.84,2.17,;-4.18,2.94,;-5.51,2.17,;-6.85,2.94,;-6.85,4.48,;-8.18,5.25,;-9.51,4.48,;-9.51,2.94,;-10.85,2.17,;-12.18,2.94,;-13.64,2.46,;-14.12,1,;-15.63,.68,;-16.1,-.78,;-15.07,-1.93,;-15.55,-3.39,;-17.05,-3.71,;-13.57,-1.61,;-13.09,-.14,;-14.55,3.71,;-16.09,3.71,;-16.86,5.04,;-16.09,6.38,;-18.4,5.04,;-19.17,3.71,;-20.71,3.71,;-21.48,5.04,;-20.71,6.38,;-19.17,6.38,;-21.48,7.71,;-20.71,9.05,;-23.02,7.71,;-22.25,9.05,;-13.64,4.96,;-12.18,4.48,;-10.85,5.25,;-5.51,5.25,;-4.18,4.48,;17.16,4.48,;18.49,5.25,;15.83,5.25,;17.16,6.02,;19.91,-4.27,;18.76,-5.3,)|
Structure:
Search PDB for entries with ligand similarity: