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Target
Interleukin-1 receptor-associated kinase 3
Ligand
BDBM50560891
Substrate
n/a
Meas. Tech.
ChEMBL_2073911 (CHEMBL4729445)
IC50
51±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:
BDBM50560891
Synonyms:
CHEMBL4750934
Type:
Small organic molecule
Emp. Form.:
C53H78N10O10S
Mol. Mass.:
1047.312
SMILES:
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)COCCOCCOCCOCCOCC(=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:15.18,12.11,52.55,wD:44.45,49.51,(3.82,-8.57,;4.2,-9.74,;5.4,-10,;3.16,-10.9,;1.62,-10.73,;1,-12.14,;2.15,-13.18,;2.14,-14.71,;3.47,-15.5,;4.81,-14.72,;4.82,-13.18,;6.16,-12.41,;7.49,-13.19,;8.84,-12.43,;10.16,-13.2,;10.16,-14.75,;8.82,-15.51,;7.49,-14.74,;11.5,-15.53,;11.5,-17.08,;12.83,-17.84,;14.17,-17.07,;14.17,-15.54,;12.83,-14.77,;15.5,-17.85,;15.5,-19.08,;16.84,-17.09,;18.17,-17.83,;19.51,-17.07,;20.84,-17.83,;22.17,-17.07,;23.51,-17.83,;24.85,-17.06,;26.18,-17.82,;27.52,-17.06,;28.85,-17.82,;30.2,-17.06,;31.52,-17.82,;32.87,-17.05,;34.19,-17.81,;35.54,-17.05,;36.88,-17.81,;36.87,-19.05,;38.19,-17.07,;39.5,-17.81,;40.79,-17.06,;42.09,-17.8,;40.78,-15.56,;39.53,-14.69,;39.99,-13.21,;39.26,-12.22,;41.53,-13.21,;42.02,-14.67,;43.48,-15.14,;43.74,-16.35,;44.61,-14.13,;46.05,-14.6,;47.2,-13.56,;46.87,-12.04,;48.01,-11.01,;49.48,-11.48,;49.81,-12.98,;48.67,-14.04,;50.62,-10.43,;50.43,-8.9,;51.84,-8.28,;52.88,-9.42,;52.12,-10.77,;52.62,-11.9,;39.5,-19.36,;41,-19.36,;40.25,-20.65,;38.43,-19.97,;3.48,-12.4,)|
Structure:
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