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Target
Interleukin-1 receptor-associated kinase 3
Ligand
BDBM50560905
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:
BDBM50560905
Synonyms:
CHEMBL4747690
Type:
Small organic molecule
Emp. Form.:
C42H56N10O6
Mol. Mass.:
796.9574
SMILES:
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCCCCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(10.73,-18.19,;11.11,-19.36,;12.32,-19.62,;10.09,-20.51,;8.56,-20.35,;7.93,-21.75,;9.08,-22.78,;9.08,-24.32,;10.41,-25.09,;11.74,-24.32,;11.74,-22.78,;13.07,-22.01,;14.41,-22.79,;15.74,-22.02,;17.07,-22.8,;17.07,-24.34,;15.73,-25.11,;14.4,-24.33,;18.39,-25.12,;18.39,-26.66,;19.72,-27.43,;21.06,-26.66,;21.06,-25.12,;19.73,-24.35,;22.39,-27.43,;22.39,-28.66,;23.73,-26.66,;25.06,-27.43,;26.39,-26.66,;26.4,-25.43,;27.73,-27.43,;29.06,-26.67,;30.4,-27.43,;31.73,-26.66,;33.06,-27.44,;34.4,-26.67,;35.73,-27.43,;37.07,-26.66,;38.4,-27.44,;38.4,-28.98,;39.73,-29.75,;41.06,-28.98,;41.07,-27.44,;42.21,-26.42,;43.42,-26.68,;41.59,-25.01,;42.45,-23.74,;41.68,-22.41,;42.44,-21.07,;43.99,-21.07,;44.6,-20.01,;44.76,-22.41,;43.99,-23.74,;44.61,-24.8,;40.06,-25.17,;39.23,-24.25,;39.74,-26.67,;10.41,-22.02,)|
Structure:
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