Target
ATP synthase subunit beta, mitochondrial
Ligand
BDBM50311123
Substrate
n/a
Meas. Tech.
ChEMBL_619845 (CHEMBL1106722)
IC50
300±n/a nM
Citation
 Lewis, CALongcore, KEMiller, SJWender, 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:
BDBM50311123
Synonyms:
(2R,3S,4R,5R,6S)-2-((1R,2E,4E,8S,9S,14E,16E,18E,20R)-11-((1R)-((2R,3R,4S,5R)-2,4-dihydroxy-6-((R)-2-((2R,4S,5S,6S)-4-hydroxy-5-((2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-4,6-dimethyltetrahydro-2H-pyran-2-yloxy)-3-methoxypropyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)(hydroxy)methyl)-8-hydroxy-9-methoxy-4,14,16,18,20-pentamethyl-13-oxocycloicosa-2,4,14,16,18-pentaenyloxy)-4-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-3-yl benzoate | CHEMBL1077465
Type:
Small organic molecule
Emp. Form.:
C66H102O21
Mol. Mass.:
1231.5035
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]3OC(=O)c3ccccc3)[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:54.55,51.52,c:20,50,t:23|
Structure:
Search PDB for entries with ligand similarity: