Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [124-240]
Ligand
BDBM237653
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
21±n/a nM
Comments
extracted
Citation
 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W Substituted hetero-azepinones US Patent  US9394263 Publication Date 7/19/2016 
Target
Name:
E3 ubiquitin-protein ligase XIAP [124-240]
Synonyms:
API3 | BIRC4 | Baculoviral IAP repeat-containing protein 2 (BIR2) | E3 ubiquitin-protein ligase XIAP (BIR2) | E3 ubiquitin-protein ligase XIAP BIR2 | IAP3 | XIAP | XIAP protein BIR2 | XIAP_HUMAN
Type:
Protein
Mol. Mass.:
13562.46
Organism:
Artificial Sequence
Description:
TR-FRET peptide Corresponds to amino acids 124-240 of human XIAP.
Residue:
117
Sequence:
RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE
  
Inhibitor
Name:
BDBM237653
Synonyms:
US9394263, 65
Type:
Small organic molecule
Emp. Form.:
C30H26N6O3
Mol. Mass.:
518.5658
SMILES:
CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3n(c(cc23)C#N)-c2ccccc2C#N)C1=O |r,wU:7.6,wD:2.2,(-9.74,-1.54,;-8.4,-.77,;-7.07,-1.54,;-7.07,-3.08,;-5.74,-.77,;-5.74,.77,;-4.4,-1.54,;-3.07,-.77,;-3.07,.77,;-1.86,1.73,;-.36,1.38,;.41,2.72,;1.95,2.72,;2.72,1.38,;1.95,.05,;.41,.05,;-.36,-1.39,;.41,-2.72,;2.49,-2.72,;3.26,-4.06,;4.8,-4.06,;5.57,-2.72,;4.8,-1.39,;5.27,.07,;4.03,.98,;2.78,.07,;3.26,-1.39,;4.03,2.52,;4.03,4.06,;6.76,.47,;7.16,1.96,;8.65,2.36,;9.74,1.27,;9.34,-.22,;7.79,-.71,;7.37,-2.19,;6.95,-3.68,;-1.86,-1.73,;-2.26,-3.22,)|
Structure:
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