Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 3
Ligand
BDBM50560901
Substrate
n/a
Meas. Tech.
ChEMBL_2073911 (CHEMBL4729445)
IC50
10.0±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:
BDBM50560901
Synonyms:
CHEMBL4779593
Type:
Small organic molecule
Emp. Form.:
C42H56N10O8
Mol. Mass.:
828.9562
SMILES:
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(7.75,-18.31,;8.16,-19.46,;9.37,-19.69,;7.16,-20.63,;5.63,-20.52,;5.04,-21.93,;6.21,-22.93,;6.25,-24.48,;7.61,-25.21,;8.92,-24.41,;8.88,-22.87,;10.19,-22.06,;11.55,-22.8,;12.85,-22,;14.21,-22.75,;14.24,-24.28,;12.93,-25.09,;11.58,-24.34,;15.59,-25.03,;15.63,-26.56,;16.98,-27.31,;18.3,-26.5,;18.26,-24.96,;16.91,-24.22,;19.65,-27.23,;19.68,-28.47,;20.96,-26.43,;22.32,-27.17,;23.63,-26.36,;23.6,-25.13,;24.98,-27.1,;26.3,-26.29,;27.65,-27.03,;28.97,-26.23,;30.32,-26.97,;31.63,-26.16,;32.98,-26.89,;34.3,-26.09,;35.65,-26.83,;36.97,-26.02,;38.32,-26.76,;38.36,-28.3,;39.71,-29.04,;41.02,-28.23,;40.99,-26.7,;42.1,-25.64,;43.31,-25.87,;41.45,-24.25,;42.35,-23,;41.61,-21.65,;42.41,-20.34,;43.95,-20.38,;44.6,-19.33,;44.69,-21.74,;43.88,-23.05,;44.47,-24.13,;39.92,-24.44,;39.07,-23.55,;39.63,-25.95,;7.52,-22.13,)|
Structure:
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