Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [241-356]
Ligand
BDBM13166
Substrate
Smac-based peptide
Meas. Tech.
Ligand Binding Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Kd
12±n/a nM
Citation
 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Discovery of potent antagonists of the antiapoptotic protein XIAP for the treatment of cancer. J Med Chem 47:4417-26 (2004) [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:
BDBM13166
Synonyms:
(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide | Capped Tripeptide Analog 2 | H-N-Me-Ala-Tle-Pro-(R)-tetrahydronaphth-1-yl Amide
Type:
Small organic molecule
Emp. Form.:
C25H38N4O3
Mol. Mass.:
442.5942
SMILES:
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Smac-based peptide
Synonyms:
6-Carboxyfluorescein (FAM) labeled peptide AVPIAQK
Type:
Peptide
Mol. Mass.:
1328.08
Organism:
n/a
Description:
n/a
Residue:
12
Sequence:
AVPIAQKFAMNH