Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [241-356]
Ligand
BDBM13211
Substrate
Smac-derived peptide
Meas. Tech.
Fluorescence Polarization Assay
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
420±n/a nM
IC50
460±30 nM
Citation
 Mastrangelo, E; Cossu, F; Milani, M; Sorrentino, G; Lecis, D; Delia, D; Manzoni, L; Drago, C; Seneci, P; Scolastico, C; Rizzo, V; Bolognesi, M Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles. J Mol Biol 384:673-89 (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:
BDBM13211
Synonyms:
(3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenylmethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide | BMC175834 Compound 1a | JMB384673 Smac001 | JMC517169 Compound 12 | conformationally constrained Smac mimetic 1
Type:
Small organic molecule
Emp. Form.:
C27H34N4O3
Mol. Mass.:
462.5839
SMILES:
CC[C@H](N)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