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Target
Interleukin-1 receptor-associated kinase 3
Ligand
BDBM50560896
Substrate
n/a
Meas. Tech.
ChEMBL_2073911 (CHEMBL4729445)
IC50
24±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:
BDBM50560896
Synonyms:
CHEMBL4763804
Type:
Small organic molecule
Emp. Form.:
C51H73N11O8S
Mol. Mass.:
1000.259
SMILES:
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCC(=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:12.11,15.18,41.42,49.52,wD:46.48,(2.42,-19.63,;1.57,-20.53,;.37,-20.25,;2.02,-22,;1.09,-23.23,;1.97,-24.5,;3.44,-24.05,;4.76,-24.85,;6.11,-24.11,;6.15,-22.57,;4.82,-21.77,;4.87,-20.23,;6.22,-19.49,;6.25,-17.94,;7.61,-17.21,;8.92,-18.01,;8.89,-19.55,;7.53,-20.28,;10.28,-17.27,;10.32,-15.73,;11.67,-15,;12.99,-15.8,;12.95,-17.34,;11.6,-18.07,;14.35,-15.06,;14.38,-13.83,;15.67,-15.86,;17.02,-15.15,;18.34,-15.95,;18.3,-17.18,;19.69,-15.23,;21.01,-16.03,;22.36,-15.3,;23.68,-16.1,;25.03,-15.37,;26.36,-16.17,;27.71,-15.45,;29.03,-16.24,;30.38,-15.51,;30.42,-14.28,;31.71,-16.31,;33.05,-15.6,;34.37,-16.4,;34.33,-17.63,;35.73,-15.66,;35.91,-14.15,;37.43,-13.86,;37.96,-12.75,;38.16,-15.22,;37.1,-16.34,;37.38,-17.86,;36.43,-18.65,;38.83,-18.39,;39.1,-19.91,;40.55,-20.43,;41.73,-19.43,;43.18,-19.95,;43.45,-21.47,;42.28,-22.47,;40.82,-21.94,;44.91,-21.99,;46.15,-21.11,;47.38,-22.05,;46.85,-23.5,;45.32,-23.46,;44.55,-24.43,;33.1,-14.04,;34.18,-12.96,;34.58,-14.44,;32.04,-13.41,;3.48,-22.51,)|
Structure:
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