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Target
Interleukin-1 receptor-associated kinase 3
Ligand
BDBM50560902
Substrate
n/a
Meas. Tech.
ChEMBL_2073911 (CHEMBL4729445)
IC50
21±n/a nM
Citation
 Degorce, SL; Tavana, O; Banks, E; Crafter, C; Gingipalli, L; Kouvchinov, D; Mao, Y; Pachl, F; Solanki, A; Valge-Archer, V; Yang, B; Edmondson, SD Discovery of Proteolysis-Targeting Chimera Molecules that Selectively Degrade the IRAK3 Pseudokinase. J Med Chem 63:10460-10473 (2020) [PubMed]  Article 
Target
Name:
Interleukin-1 receptor-associated kinase 3
Synonyms:
IL-1 receptor-associated kinase M | IRAK-3 | IRAK-M | IRAK3 | IRAK3_HUMAN
Type:
PROTEIN
Mol. Mass.:
67767.98
Organism:
Homo sapiens (Human)
Description:
EBI_101055
Residue:
596
Sequence:
MAGNCGARGALSAHTLLFDLPPALLGELCAVLDSCDGALGWRGLAERLSSSWLDVRHIEKYVDQGKSGTRELLWSWAQKNKTIGDLLQVLQEMGHRRAIHLITNYGAVLSPSEKSYQEGGFPNILFKETANVTVDNVLIPEHNEKGILLKSSISFQNIIEGTRNFHKDFLIGEGEIFEVYRVEIQNLTYAVKLFKQEKKMQCKKHWKRFLSELEVLLLFHHPNILELAAYFTETEKFCLIYPYMRNGTLFDRLQCVGDTAPLPWHIRIGILIGISKAIHYLHNVQPCSVICGSISSANILLDDQFQPKLTDFAMAHFRSHLEHQSCTINMTSSSSKHLWYMPEEYIRQGKLSIKTDVYSFGIVIMEVLTGCRVVLDDPKHIQLRDLLRELMEKRGLDSCLSFLDKKVPPCPRNFSAKLFCLAGRCAATRAKLRPSMDEVLNTLESTQASLYFAEDPPTSLKSFRCPSPLFLENVPSIPVEDDESQNNNLLPSDEGLRIDRMTQKTPFECSQSEVMFLSLDKKPESKRNEEACNMPSSSCEESWFPKYIVPSQDLRPYKVNIDPSSEAPGHSCRSRPVESSCSSKFSWDEYEQYKKE
  
Inhibitor
Name:
BDBM50560902
Synonyms:
CHEMBL4757434
Type:
Small organic molecule
Emp. Form.:
C44H60N10O9
Mol. Mass.:
873.0088
SMILES:
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(10.47,-15.58,;10.87,-16.74,;12.08,-16.99,;9.85,-17.9,;8.32,-17.76,;7.71,-19.17,;8.87,-20.18,;8.88,-21.73,;10.23,-22.48,;11.55,-21.7,;11.53,-20.16,;12.86,-19.37,;14.2,-20.13,;15.53,-19.34,;16.87,-20.11,;16.88,-21.65,;15.56,-22.43,;14.21,-21.67,;18.22,-22.41,;18.24,-23.94,;19.58,-24.71,;20.9,-23.92,;20.89,-22.38,;19.55,-21.62,;22.24,-24.67,;22.26,-25.91,;23.56,-23.89,;24.91,-24.65,;26.23,-23.86,;26.22,-22.63,;27.58,-24.61,;28.9,-23.83,;30.25,-24.58,;31.57,-23.8,;32.92,-24.56,;34.24,-23.77,;35.58,-24.52,;36.9,-23.74,;38.25,-24.5,;39.57,-23.71,;40.92,-24.46,;42.24,-23.68,;43.59,-24.44,;44.91,-23.65,;44.89,-22.11,;46.21,-21.32,;47.55,-22.08,;47.58,-23.62,;48.73,-24.63,;49.93,-24.36,;48.12,-26.04,;48.91,-27.37,;48.05,-28.65,;48.74,-30.03,;50.28,-30.13,;50.83,-31.23,;51.13,-28.84,;50.44,-27.46,;51.12,-26.44,;46.59,-25.9,;45.78,-26.83,;46.25,-24.41,;10.19,-19.4,)|
Structure:
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