Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50502739
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 More Info.:
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:
BDBM50502739
Synonyms:
CHEMBL4447648 | US11065231, Example 3
Type:
Small organic molecule
Emp. Form.:
C46H52F3N7O9
Mol. Mass.:
903.9418
SMILES:
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CCOCCOCCOc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)ccc12 |r,wD:5.8,2.1,(3.86,-12.13,;4.32,-10.66,;5.83,-10.32,;6.87,-11.46,;8.38,-11.12,;8.83,-9.65,;7.79,-8.51,;6.29,-8.86,;10.33,-9.3,;10.94,-7.88,;10.14,-6.56,;10.89,-5.22,;12.42,-5.19,;10.1,-3.9,;10.85,-2.57,;10.06,-1.25,;8.52,-1.28,;7.78,-2.63,;8.57,-3.94,;6.25,-2.66,;5.45,-1.35,;5.51,-4,;4.71,-2.65,;12.47,-8.02,;12.82,-9.53,;14.17,-10.26,;14.2,-11.8,;15.55,-12.55,;16.87,-11.74,;18.22,-12.49,;19.53,-11.7,;19.5,-10.16,;20.82,-9.37,;22.17,-10.11,;23.49,-9.32,;24.84,-10.06,;26.16,-9.27,;27.51,-10.01,;28.83,-9.22,;30.18,-9.96,;31.49,-9.17,;32.84,-9.91,;32.86,-11.45,;34.21,-12.2,;35.53,-11.4,;37.01,-11.84,;37.52,-13.3,;37.89,-10.58,;39.43,-10.56,;40.17,-9.21,;41.71,-9.18,;42.51,-10.5,;44.05,-10.47,;41.76,-11.84,;40.23,-11.87,;39.49,-13.22,;36.96,-9.35,;37.4,-7.88,;35.5,-9.86,;34.15,-9.12,;18.15,-9.42,;16.83,-10.21,;12.87,-12.61,;11.53,-11.86,;11.49,-10.32,)|
Structure:
