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Target
Interleukin-1 receptor-associated kinase 3
Ligand
BDBM50560894
Substrate
n/a
Meas. Tech.
ChEMBL_2073911 (CHEMBL4729445)
IC50
50±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:
BDBM50560894
Synonyms:
CHEMBL4778668
Type:
Small organic molecule
Emp. Form.:
C43H59N9O9
Mol. Mass.:
845.9835
SMILES:
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(4.12,-15.5,;4.54,-16.67,;5.75,-16.88,;3.55,-17.84,;2.02,-17.72,;1.42,-19.15,;2.59,-20.14,;2.64,-21.68,;3.99,-22.41,;5.31,-21.6,;5.26,-20.07,;6.58,-19.26,;7.92,-19.99,;9.23,-19.18,;10.59,-19.93,;10.63,-21.46,;9.32,-22.27,;7.96,-21.53,;11.99,-22.2,;12.02,-23.74,;13.38,-24.48,;14.69,-23.67,;14.65,-22.13,;13.3,-21.39,;16.05,-24.4,;16.09,-25.63,;17.36,-23.59,;18.72,-24.33,;20.03,-23.52,;21.38,-24.24,;22.69,-23.43,;24.05,-24.16,;25.37,-23.36,;26.72,-24.09,;28.03,-23.28,;29.39,-24.01,;30.7,-23.2,;32.06,-23.93,;33.37,-23.13,;34.73,-23.86,;36.04,-23.05,;37.4,-23.78,;37.43,-25.32,;38.79,-26.06,;40.1,-25.25,;40.06,-23.71,;41.18,-22.65,;42.39,-22.87,;40.51,-21.26,;41.25,-19.91,;40.34,-18.66,;40.97,-17.25,;42.5,-17.1,;43,-15.97,;43.4,-18.34,;42.77,-19.75,;43.5,-20.75,;38.99,-21.47,;38.14,-20.57,;38.71,-22.98,;3.92,-19.33,)|
Structure:
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