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Target
Interleukin-1 receptor-associated kinase 3
Ligand
BDBM50560887
Substrate
n/a
Meas. Tech.
ChEMBL_2073911 (CHEMBL4729445)
IC50
6.0±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:
BDBM50560887
Synonyms:
CHEMBL4798668
Type:
Small organic molecule
Emp. Form.:
C46H61N11O6
Mol. Mass.:
864.0466
SMILES:
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c12 |r,wU:12.11,15.18,(9.52,-11.75,;9.89,-12.93,;11.08,-13.21,;8.83,-14.06,;7.31,-13.87,;6.65,-15.27,;7.78,-16.32,;7.76,-17.86,;9.08,-18.65,;10.42,-17.9,;10.45,-16.36,;11.8,-15.61,;13.12,-16.41,;14.47,-15.67,;15.79,-16.46,;15.76,-18.01,;14.41,-18.76,;13.09,-17.96,;17.08,-18.81,;17.05,-20.34,;18.37,-21.15,;19.71,-20.4,;19.75,-18.86,;18.42,-18.06,;21.04,-21.19,;21.01,-22.43,;22.39,-20.44,;23.71,-21.24,;25.06,-20.49,;25.08,-19.26,;26.38,-21.29,;27.72,-20.54,;29.05,-21.34,;29.02,-22.88,;30.34,-23.67,;30.31,-25.22,;31.62,-26.01,;31.58,-27.55,;30.24,-28.3,;28.92,-27.5,;28.96,-25.97,;30.2,-29.84,;28.85,-30.59,;28.81,-32.12,;30.14,-32.93,;30.41,-34.43,;29.56,-35.34,;31.94,-34.63,;32.69,-35.98,;34.22,-35.9,;35.06,-37.19,;34.35,-38.57,;35.03,-39.6,;32.82,-38.65,;31.98,-37.35,;30.75,-37.42,;32.6,-33.24,;33.81,-33.01,;31.48,-32.18,;31.52,-30.64,;27.67,-23.63,;26.35,-22.83,;9.13,-15.57,)|
Structure:
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