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Target
E3 ubiquitin-protein ligase XIAP [241-356]
Ligand
BDBM13212
Substrate
Smac-derived peptide
Meas. Tech.
Fluorescence Polarization Assay
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
61±6 nM
Citation
 Zhang, B; Nikolovska-Coleska, Z; Zhang, Y; Bai, L; Qiu, S; Yang, CY; Sun, H; Wang, S; Wu, Y Design, Synthesis, and Evaluation of Tricyclic, Conformationally Constrained Small-Molecule Mimetics of Second Mitochondria-Derived Activator of Caspases. J Med Chem 51:7352-5 (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:
BDBM13212
Synonyms:
(3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylamino)butanamido]-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide | (3S,6S,9aS)-N-benzhydryl-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide | BMC175834 Compound 1b | JMC517169 Compound 13 | JMC517352 Compound 1 | SM-131 | conformationally constrained Smac mimetic 2
Type:
Small organic molecule
Emp. Form.:
C28H36N4O3
Mol. Mass.:
476.6104
SMILES:
CC[C@H](NC)C(=O)N[C@H]1CCC[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