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Target
Interleukin-1 receptor-associated kinase 3
Ligand
BDBM50560893
Substrate
n/a
Meas. Tech.
ChEMBL_2073911 (CHEMBL4729445)
IC50
34±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:
BDBM50560893
Synonyms:
CHEMBL4743058
Type:
Small organic molecule
Emp. Form.:
C41H55N9O8
Mol. Mass.:
801.9309
SMILES:
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(9.65,-9.97,;10.01,-11.15,;11.21,-11.41,;8.97,-12.28,;7.45,-12.1,;6.8,-13.5,;7.93,-14.54,;7.91,-16.08,;9.24,-16.87,;10.58,-16.11,;10.6,-14.57,;11.94,-13.82,;13.27,-14.61,;14.62,-13.85,;15.93,-14.65,;15.92,-16.19,;14.57,-16.94,;13.25,-16.15,;17.24,-16.97,;17.21,-18.52,;18.54,-19.31,;19.88,-18.55,;19.91,-17.01,;18.58,-16.22,;21.21,-19.34,;21.19,-20.57,;22.55,-18.58,;23.88,-19.37,;25.23,-18.61,;26.55,-19.4,;27.89,-18.64,;29.22,-19.43,;30.56,-18.67,;31.89,-19.46,;33.23,-18.71,;34.56,-19.49,;35.9,-18.74,;37.23,-19.52,;38.57,-18.77,;38.59,-17.22,;39.93,-16.47,;41.25,-17.25,;41.24,-18.79,;42.37,-19.83,;43.58,-19.58,;41.74,-21.23,;42.49,-22.58,;41.6,-23.83,;42.25,-25.23,;43.79,-25.36,;44.31,-26.48,;44.67,-24.1,;44.02,-22.7,;44.72,-21.69,;40.2,-21.06,;39.37,-21.96,;39.9,-19.55,;9.27,-13.79,)|
Structure:
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