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Target
Interleukin-1 receptor-associated kinase 3
Ligand
BDBM50560895
Substrate
n/a
Meas. Tech.
ChEMBL_2073911 (CHEMBL4729445)
IC50
33±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:
BDBM50560895
Synonyms:
CHEMBL4753038
Type:
Small organic molecule
Emp. Form.:
C45H63N9O10
Mol. Mass.:
890.036
SMILES:
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(.69,-11.31,;1.1,-12.46,;2.31,-12.68,;.11,-13.64,;-1.42,-13.52,;-2.01,-14.95,;-.85,-15.94,;-.8,-17.48,;.56,-18.21,;1.87,-17.4,;1.83,-15.86,;3.14,-15.05,;4.49,-15.79,;5.81,-14.98,;7.16,-15.72,;7.2,-17.26,;5.9,-18.07,;4.54,-17.33,;8.56,-18,;8.61,-19.53,;9.96,-20.27,;11.27,-19.46,;11.23,-17.92,;9.87,-17.19,;12.63,-20.19,;12.66,-21.42,;13.94,-19.38,;15.3,-20.11,;16.61,-19.3,;17.96,-20.03,;19.27,-19.22,;20.63,-19.95,;21.94,-19.14,;23.3,-19.88,;24.61,-19.06,;25.97,-19.8,;27.28,-18.99,;28.64,-19.72,;29.95,-18.91,;31.3,-19.64,;32.61,-18.83,;33.97,-19.56,;35.28,-18.75,;36.65,-19.48,;37.96,-18.67,;37.91,-17.13,;39.22,-16.32,;40.57,-17.05,;40.63,-18.59,;41.79,-19.58,;42.99,-19.28,;41.21,-21,;42.03,-22.32,;41.2,-23.61,;41.9,-24.98,;43.44,-25.04,;44.01,-26.14,;44.27,-23.75,;43.56,-22.38,;44.22,-21.34,;39.68,-20.89,;38.89,-21.83,;39.31,-19.4,;.47,-15.13,)|
Structure:
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