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Target
Interleukin-1 receptor-associated kinase 3
Ligand
BDBM50560897
Substrate
n/a
Meas. Tech.
ChEMBL_2073911 (CHEMBL4729445)
IC50
25±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:
BDBM50560897
Synonyms:
CHEMBL4787051
Type:
Small organic molecule
Emp. Form.:
C53H77N11O9S
Mol. Mass.:
1044.312
SMILES:
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:15.18,12.11,44.45,52.55,wD:49.51,(2.42,-15.77,;1.57,-14.86,;.37,-15.14,;2.03,-13.39,;1.1,-12.16,;1.98,-10.9,;3.45,-11.34,;4.78,-10.54,;6.13,-11.29,;6.15,-12.83,;4.83,-13.63,;4.86,-15.18,;6.21,-15.92,;7.54,-15.12,;8.88,-15.86,;8.92,-17.4,;7.6,-18.2,;6.25,-17.46,;10.27,-18.15,;11.59,-17.35,;12.94,-18.09,;12.98,-19.62,;11.66,-20.42,;10.31,-19.69,;14.33,-20.36,;14.36,-21.6,;15.66,-19.56,;17,-20.28,;18.32,-19.49,;18.29,-18.25,;19.67,-20.22,;21,-19.42,;22.35,-20.15,;23.67,-19.36,;25.02,-20.09,;26.34,-19.29,;27.69,-20.01,;29.01,-19.22,;30.36,-19.95,;31.68,-19.15,;33.03,-19.88,;34.35,-19.08,;34.32,-17.85,;35.7,-19.81,;37.03,-19.01,;38.38,-19.75,;38.41,-20.99,;39.7,-18.95,;39.8,-17.42,;41.3,-17.06,;41.76,-15.92,;42.1,-18.39,;41.11,-19.55,;41.46,-21.05,;40.56,-21.9,;42.93,-21.49,;43.29,-23,;44.76,-23.44,;45.88,-22.39,;47.37,-22.83,;47.72,-24.33,;46.59,-25.39,;45.11,-24.94,;49.2,-24.77,;50.4,-23.83,;51.67,-24.7,;51.22,-26.18,;49.68,-26.23,;48.98,-27.23,;36.98,-17.47,;38.06,-16.38,;38.46,-17.86,;35.9,-16.89,;3.48,-12.88,)|
Structure:
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