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Target
Interleukin-1 receptor-associated kinase 3
Ligand
BDBM50560898
Substrate
n/a
Meas. Tech.
ChEMBL_2073911 (CHEMBL4729445)
IC50
19±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:
BDBM50560898
Synonyms:
CHEMBL4779139
Type:
Small organic molecule
Emp. Form.:
C55H81N11O10S
Mol. Mass.:
1088.364
SMILES:
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCOCCOCC(=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:55.58,15.18,12.11,47.48,wD:52.54,(.37,-19.98,;1.57,-20.27,;2.41,-19.38,;2,-21.75,;1.07,-22.97,;1.94,-24.25,;3.41,-23.81,;4.73,-24.62,;6.08,-23.88,;6.13,-22.35,;4.81,-21.54,;4.85,-19.99,;6.22,-19.26,;6.26,-17.72,;7.62,-16.99,;8.93,-17.8,;8.89,-19.34,;7.53,-20.07,;10.29,-17.07,;10.34,-15.53,;11.69,-14.81,;13.01,-15.62,;12.96,-17.15,;11.61,-17.88,;14.38,-14.89,;14.42,-13.65,;15.69,-15.69,;17.05,-14.99,;18.36,-15.79,;18.31,-17.03,;19.71,-15.08,;21.03,-15.89,;22.39,-15.17,;23.7,-15.98,;25.06,-15.26,;26.38,-16.07,;27.74,-15.35,;29.05,-16.16,;30.4,-15.44,;31.71,-16.25,;33.08,-15.54,;34.39,-16.34,;35.74,-15.63,;37.06,-16.44,;38.43,-15.71,;38.47,-14.48,;39.74,-16.52,;41.09,-15.81,;42.41,-16.62,;42.37,-17.86,;43.77,-15.89,;43.96,-14.38,;45.48,-14.1,;46.01,-12.99,;46.2,-15.46,;45.14,-16.58,;45.4,-18.09,;44.45,-18.88,;46.84,-18.63,;47.1,-20.14,;48.56,-20.68,;48.82,-22.2,;50.27,-22.73,;51.45,-21.74,;51.18,-20.21,;49.74,-19.69,;52.9,-22.27,;54.16,-21.4,;55.37,-22.35,;54.85,-23.8,;53.3,-23.74,;52.54,-24.71,;41.14,-14.25,;41.9,-12.93,;42.67,-14.24,;40.09,-13.61,;3.45,-22.26,)|
Structure:
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