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Target
Interleukin-1 receptor-associated kinase 3
Ligand
BDBM50560890
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:
BDBM50560890
Synonyms:
CHEMBL4762658
Type:
Small organic molecule
Emp. Form.:
C51H74N10O9S
Mol. Mass.:
1003.26
SMILES:
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)COCCOCCOCCOCC(=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:49.52,41.42,15.18,12.11,wD:46.48,(-2.98,-8.02,;-2.6,-9.2,;-1.39,-9.45,;-3.62,-10.35,;-5.16,-10.19,;-5.79,-11.61,;-4.63,-12.64,;-4.63,-14.17,;-3.29,-14.95,;-1.96,-14.17,;-1.96,-12.62,;-.62,-11.84,;.71,-12.62,;2.05,-11.85,;3.38,-12.62,;3.39,-14.16,;2.05,-14.94,;.72,-14.16,;4.73,-14.94,;4.73,-16.48,;6.07,-17.24,;7.4,-16.47,;7.4,-14.93,;6.06,-14.17,;8.75,-17.23,;8.76,-18.46,;10.09,-16.46,;11.42,-17.21,;12.75,-16.44,;14.09,-17.19,;15.43,-16.41,;16.76,-17.17,;18.11,-16.39,;19.44,-17.15,;20.78,-16.38,;22.12,-17.14,;23.46,-16.36,;24.79,-17.11,;26.12,-16.34,;26.12,-15.1,;27.44,-17.08,;28.75,-16.32,;30.08,-17.08,;30.1,-18.32,;31.42,-16.31,;31.55,-14.79,;33.06,-14.44,;33.59,-13.29,;33.83,-15.78,;32.82,-16.93,;33.14,-18.44,;32.22,-19.26,;34.58,-18.88,;34.86,-20.36,;36.34,-20.83,;36.67,-22.35,;38.15,-22.81,;39.28,-21.77,;38.95,-20.26,;37.49,-19.79,;40.76,-22.24,;41.99,-21.31,;43.24,-22.21,;42.77,-23.68,;41.21,-23.7,;40.49,-24.7,;28.74,-14.78,;29.81,-14.16,;27.3,-14.79,;28.34,-13.29,;-3.3,-11.85,)|
Structure:
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