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Target
ATP synthase subunit beta, mitochondrial
Ligand
BDBM50311122
Substrate
n/a
Meas. Tech.
ChEMBL_619845 (CHEMBL1106722)
IC50
700±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:
Baker's yeast
Description:
ChEMBL_619845
Residue:
511
Sequence:
MVLPRLYTATSRAAFKAAKQSAPLLSTSWKRCMASAAQSTPITGKVTAVIGAIVDVHFEQSELPAILNALEIKTPQGKLVLEVAQHLGENTVRTIAMDGTEGLVRGEKVLDTGGPISVPVGRETLGRIINVIGEPIDERGPIKSKLRKPIHADPPSFAEQSTSAEILETGIKVVDLLAPYARGGKIGLFGGAGVGKTVFIQELINNIAKAHGGFSVFTGVGERTREGNDLYREMKETGVINLEGESKVALVFGQMNEPPGARARVALTGLTIAEYFRDEEGQDVLLFIDNIFRFTQAGSEVSALLGRIPSAVGYQPTLATDMGLLQERITTTKKGSVTSVQAVYVPADDLTDPAPATTFAHLDATTVLSRGISELGIYPAVDPLDSKSRLLDAAVVGQEHYDVASKVQETLQTYKSLQDIIAILGMDELSEQDKLTVERARKIQRFLSQPFAVAEVFTGIPGKLVRLKDTVASFKAVLEGKYDNIPEHAFYMVGGIEDVVAKAEKLAAEAN
  
Inhibitor
Name:
BDBM50311122
Synonyms:
Apoptolidin A | CHEMBL1077464
Type:
Small organic molecule
Emp. Form.:
C59H98O20
Mol. Mass.:
1127.3974
SMILES:
COC[C@@H](CC1O[C@@](O)([C@H](O)C2C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C\[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]3O)[C@H](C)\C=C(C)\C=C(C)C=C(C)C(=O)C2)[C@H](C)[C@@H](O)[C@H]1C)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,w:43.43,46.46,c:20,41,t:23|
Structure:
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