Reaction Details
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Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50502736
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:
BDBM50502736
Synonyms:
CHEMBL4472363 | US11065231, Example 9
Type:
Small organic molecule
Emp. Form.:
C46H51F3N8O6
Mol. Mass.:
868.9423
SMILES:
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CC4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)ccc12 |r,wD:5.8,2.1,(6.08,-43.96,;7.12,-45.09,;8.62,-44.75,;9.67,-45.88,;11.17,-45.54,;11.62,-44.07,;10.57,-42.95,;9.08,-43.28,;13.11,-43.73,;13.72,-42.31,;12.92,-40.99,;13.67,-39.65,;15.21,-39.62,;12.88,-38.33,;13.64,-36.98,;12.84,-35.66,;11.3,-35.69,;10.56,-37.04,;11.35,-38.36,;9.02,-37.07,;8.22,-35.76,;8.27,-38.42,;7.48,-37.07,;15.25,-42.45,;15.59,-43.95,;16.94,-44.69,;16.98,-46.23,;18.33,-46.97,;19.65,-46.17,;20.99,-46.91,;22.3,-46.12,;22.27,-44.58,;23.59,-43.79,;24.94,-44.53,;24.96,-46.07,;26.3,-46.82,;27.62,-46.03,;27.6,-44.49,;26.25,-43.73,;28.97,-46.78,;28.98,-48.32,;30.32,-49.07,;31.65,-48.28,;33.13,-48.73,;33.64,-50.19,;34.02,-47.46,;35.55,-47.43,;36.29,-46.09,;37.84,-46.06,;38.63,-47.38,;40.17,-47.36,;37.88,-48.73,;36.35,-48.76,;35.6,-50.1,;33.08,-46.23,;33.53,-44.75,;31.62,-46.73,;30.28,-45.99,;20.92,-43.84,;19.6,-44.63,;15.65,-47.03,;14.3,-46.28,;14.27,-44.74,)|
Structure:
