Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetE3 ubiquitin-protein ligase XIAP [241-356]
LigandBDBM27931
Substrate/CompetitorBDBM17342
Meas. Tech.Fluorescence Polarization Affinity Measurements
Ki 1500±n/a nM
Citation Cohen, FAlicke, BElliott, LOFlygare, JAGoncharov, TKeteltas, SFFranklin, MCFrankovitz, SStephan, JPTsui, VVucic, DWong, HFairbrother, WJ Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold. J Med Chem52:1723-30 (2009) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
E3 ubiquitin-protein ligase XIAP [241-356]
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:
SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKC
FHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM27931
BDBM17342
NameBDBM27931
Synonyms:Azabicyclooctane scaffold, 14n | N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-1H-1,2,3-benzotriazole-5-carboxamide
TypeSmall organic molecule
Emp. Form.C24H35N7O3
Mol. Mass.469.5798
SMILES[H][C@]12CC[C@H](NC(=O)c3ccc4nn[nH]c4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: