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Target
Baculoviral IAP repeat-containing protein 3
Ligand
BDBM13212
Substrate
Smac-derived peptide
Meas. Tech.
Fluorescence Polarization Assay
pH
7.5±n/a
Temperature
296.15±n/a K
Ki
61±n/a nM
IC50
530±n/a nM
Citation
 Seneci, P; Bianchi, A; Battaglia, C; Belvisi, L; Bolognesi, M; Caprini, A; Cossu, F; Franco, E; Matteo, M; Delia, D; Drago, C; Khaled, A; Lecis, D; Manzoni, L; Marizzoni, M; Mastrangelo, E; Milani, M; Motto, I; Moroni, E; Potenza, D; Rizzo, V; Servida, F; Turlizzi, E; Varrone, M; Vasile, F; Scolastico, C Rational design, synthesis and characterization of potent, non-peptidic Smac mimics/XIAP inhibitors as proapoptotic agents for cancer therapy. Bioorg Med Chem 17:5834-56 (2009) [PubMed]  Article 
Target
Name:
Baculoviral IAP repeat-containing protein 3
Synonyms:
API2 | BIRC3 | BIRC3_HUMAN | Baculoviral IAP repeat-containing protein 3 | Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) | Inhibitor of apoptosis protein 3 (cIAP2) | MIHC | RNF49 | XIAP-BIR3 | cIAP1/cIAP2
Type:
Protein
Mol. Mass.:
68365.75
Organism:
Homo sapiens (Human)
Description:
Q13489
Residue:
604
Sequence:
MNIVENSIFLSNLMKSANTFELKYDLSCELYRMSTYSTFPAGVPVSERSLARAGFYYTGVNDKVKCFCCGLMLDNWKRGDSPTEKHKKLYPSCRFVQSLNSVNNLEATSQPTFPSSVTNSTHSLLPGTENSGYFRGSYSNSPSNPVNSRANQDFSALMRSSYHCAMNNENARLLTFQTWPLTFLSPTDLAKAGFYYIGPGDRVACFACGGKLSNWEPKDNAMSEHLRHFPKCPFIENQLQDTSRYTVSNLSMQTHAARFKTFFNWPSSVLVNPEQLASAGFYYVGNSDDVKCFCCDGGLRCWESGDDPWVQHAKWFPRCEYLIRIKGQEFIRQVQASYPHLLEQLLSTSDSPGDENAESSIIHFEPGEDHSEDAIMMNTPVINAAVEMGFSRSLVKQTVQRKILATGENYRLVNDLVLDLLNAEDEIREEERERATEEKESNDLLLIRKNRMALFQHLTCVIPILDSLLTAGIINEQEHDVIKQKTQTSLQARELIDTILVKGNIAATVFRNSLQEAEAVLYEHLFVQQDIKYIPTEDVSDLPVEEQLRRLQEERTCKVCMDKEVSIVFIPCGHLVVCKDCAPSLRKCPICRSTIKGTVRTFLS
  
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