Reaction Details  Report a problem with these data
Target
Complex of Baculoviral IAP repeat-containing protein 7 [1-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
Ligand
BDBM17343
Substrate
BDBM17342
Meas. Tech.
Fluorescence Polarization Affinity Measurements.
pH
7.2±n/a
Temperature
295.15±n/a K
Ki
15300±n/a nM
Citation
 Zobel, K; Wang, L; Varfolomeev, E; Franklin, MC; Elliott, LO; Wallweber, HJ; Okawa, DC; Flygare, JA; Vucic, D; Fairbrother, WJ; Deshayes, K Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs. ACS Chem Biol 1:525-33 (2006) [PubMed]  Article
Target
Name:
Complex of Baculoviral IAP repeat-containing protein 7 [1-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
Synonyms:
Chimeric protein of melanoma inhibitor of apoptosis protein and XIAP-BIR3 | ML-IAP-BIR | MLXBIR3SG
Type:
Chimeric Protein
Mol. Mass.:
19011.07
Organism:
Homo sapiens (Human)
Description:
Amino acids 160-179 of MLBIR were replaced with amino acids 336-348 of XIAP-BIR3, and Ser150 of MLBIR was mutated to glycine to give MLXBIR3SG.
Residue:
172
Sequence:
MGPKDSAKCLHRGPQPSHWAAGDGPTQERCGPRSLGSPVLGLDTCRAWDHVDGQILGQLRPLTEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL
  
Inhibitor
Name:
BDBM17343
Synonyms:
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{1-[(3S)-3-[(2S)-2-aminopropanamido]-2-oxoazepan-1-yl]acetamido}-3-methylpentanamido]propanamido]pentanediamido]hexanamido]-3-hydroxypropanamido]pentanedioic acid | Smac-derived compound, 2
Type:
Small organic molecule
Emp. Form.:
C39H67N11O14
Mol. Mass.:
914.0146
SMILES:
CCC(C)[C@H](NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)N)C1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM17342
Synonyms:
5-carboxyflourescein(5-FAM)-conjugated AVPFFAKK | AVP-diPhe-FAM
Type:
Fluorescent dye-conjugated peptide
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: