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Target
Interleukin-1 receptor-associated kinase 3
Ligand
BDBM50560903
Substrate
n/a
Meas. Tech.
ChEMBL_2073911 (CHEMBL4729445)
IC50
22±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:
BDBM50560903
Synonyms:
CHEMBL4746543
Type:
Small organic molecule
Emp. Form.:
C46H64N10O10
Mol. Mass.:
917.0614
SMILES:
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(9.48,-18.71,;9.89,-19.88,;11.07,-20.13,;8.86,-21.04,;7.33,-20.89,;6.73,-22.3,;7.87,-23.32,;7.89,-24.86,;9.23,-25.62,;10.56,-24.83,;10.55,-23.29,;11.86,-22.51,;13.21,-23.27,;14.53,-22.49,;15.87,-23.25,;15.87,-24.79,;14.56,-25.57,;13.21,-24.81,;17.22,-25.55,;17.23,-27.09,;18.57,-27.85,;19.89,-27.07,;19.88,-25.53,;18.54,-24.77,;21.24,-27.82,;21.25,-29.06,;22.57,-27.04,;23.91,-27.8,;25.24,-27.01,;25.23,-25.78,;26.58,-27.77,;27.91,-26.98,;29.25,-27.73,;30.57,-26.95,;31.92,-27.71,;33.25,-26.93,;34.58,-27.68,;35.91,-26.89,;37.25,-27.65,;38.58,-26.87,;39.93,-27.62,;41.25,-26.84,;42.59,-27.6,;43.92,-26.81,;45.26,-27.57,;46.59,-26.78,;47.93,-27.54,;47.94,-29.08,;49.29,-29.84,;50.61,-29.06,;50.6,-27.51,;51.73,-26.47,;52.94,-26.72,;51.1,-25.07,;52,-23.82,;51.27,-22.47,;52.07,-21.16,;53.61,-21.21,;54.26,-20.15,;54.34,-22.57,;53.53,-23.87,;54.11,-24.95,;49.57,-25.25,;48.73,-24.34,;49.26,-26.75,;9.21,-22.53,)|
Structure:
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