Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [241-356]
Ligand
BDBM26219
Substrate
Smac-derived peptide
Meas. Tech.
Fluorescence Polarization Assay
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
67±18 nM
Citation
 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S Structure-Based Design, Synthesis, Evaluation, and Crystallographic Studies of Conformationally Constrained Smac Mimetics as Inhibitors of the X-linked Inhibitor of Apoptosis Protein (XIAP). J Med Chem 51:7169-80 (2008) [PubMed]  Article 
Target
Name:
E3 ubiquitin-protein ligase XIAP [241-356]
Synonyms:
API3 | BIR3 domain of X-linked inhibitor of apoptosis protein | BIRC4 | E3 ubiquitin-protein ligase (XIAP-BIR3) | E3 ubiquitin-protein ligase XIAP BIR-3 | E3 ubiquitin-protein ligase XIAP BIR3 | IAP3 | X chromosome-linked inhibitor of apoptosis BIR3 domain (XIAP BIR3) | X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3) | XIAP | XIAP-BIR3 | XIAP_HUMAN | baculovirus IAP repeat 3 (BIR3) domain of XIAP
Type:
Protein Binding Domain
Mol. Mass.:
13276.62
Organism:
Homo sapiens (Human)
Description:
BIR3 of XIAP: RESIDUES 241-356.
Residue:
116
Sequence:
SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT
  
Inhibitor
Name:
BDBM26219
Synonyms:
(3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylamino)butanamido]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide | bicyclic Smac peptide mimetic, 21
Type:
Small organic molecule
Emp. Form.:
C29H38N4O3
Mol. Mass.:
490.637
SMILES:
CC[C@H](NC)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Smac-derived peptide
Synonyms:
SM5F
Type:
fluorescently labelled peptide
Mol. Mass.:
1220.95
Organism:
n/a
Description:
5-carboxyfluorescein was coupled to the lysine side chain of the mutated Smac peptide.
Residue:
10
Sequence:
ARPFKFAMNH