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Target
ATP synthase subunit beta, mitochondrial
Ligand
BDBM50311130
Substrate
n/a
Meas. Tech.
ChEMBL_619845 (CHEMBL1106722)
IC50
17000±n/a nM
Citation
 Lewis, CA; Longcore, KE; Miller, SJ; Wender, PA An approach to the site-selective diversification of apoptolidin A with peptide-based catalysts. J Nat Prod 72:1864-9 (2009) [PubMed]  Article
Target
Name:
ATP synthase subunit beta, mitochondrial
Synonyms:
ATP2 | ATPB_YEAST
Type:
PROTEIN
Mol. Mass.:
54787.55
Organism:
Saccharomyces cerevisiae
Description:
ChEMBL_619845
Residue:
511
Sequence:
MVLPRLYTATSRAAFKAAKQSAPLLSTSWKRCMASAAQSTPITGKVTAVIGAIVDVHFEQSELPAILNALEIKTPQGKLVLEVAQHLGENTVRTIAMDGTEGLVRGEKVLDTGGPISVPVGRETLGRIINVIGEPIDERGPIKSKLRKPIHADPPSFAEQSTSAEILETGIKVVDLLAPYARGGKIGLFGGAGVGKTVFIQELINNIAKAHGGFSVFTGVGERTREGNDLYREMKETGVINLEGESKVALVFGQMNEPPGARARVALTGLTIAEYFRDEEGQDVLLFIDNIFRFTQAGSEVSALLGRIPSAVGYQPTLATDMGLLQERITTTKKGSVTSVQAVYVPADDLTDPAPATTFAHLDATTVLSRGISELGIYPAVDPLDSKSRLLDAAVVGQEHYDVASKVQETLQTYKSLQDIIAILGMDELSEQDKLTVERARKIQRFLSQPFAVAEVFTGIPGKLVRLKDTVASFKAVLEGKYDNIPEHAFYMVGGIEDVVAKAEKLAAEAN
  
Inhibitor
Name:
BDBM50311130
Synonyms:
CHEMBL1077479 | Isoapoptolidin
Type:
Small organic molecule
Emp. Form.:
C58H96O21
Mol. Mass.:
1129.3702
SMILES:
COC[C@@H](CC1O[C@](O)([C@H](C)[C@@H](O)[C@H]1C)[C@@H]1OC(=O)\C(C)=C\C(\C)=C\C(\C)=C\[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]2O)\C=C\C(\C)=C\CC[C@H](O)[C@H](C[C@@H]1O)OC)O[C@H]1C[C@](C)(O)[C@@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1 |r,t:21,24,27,45,48|
Structure:
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