Reaction Details Report a problem with these data
Target
ATP synthase subunit beta, mitochondrial
Ligand
BDBM50311125
Substrate
n/a
Meas. Tech.
ChEMBL_619845 (CHEMBL1106722)
IC50
800±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:
BDBM50311125
Synonyms:
(2R,3R,4R,6S)-6-((2S,3S,4S,6R)-6-((2R)-1-((3R,4S,5R,6R)-6-((1R)-((4E,6E,8E,10R,11R,12E,14E,18S,19S)-11-((2R,3S,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-18-hydroxy-19-methoxy-4,6,8,10,14-pentamethyl-3-oxocycloicosa-4,6,8,12,14-pentaenyl)(hydroxy)methyl)-4,6-dihydroxy-3,5-dimethyltetrahydro-2H-pyran-2-yl)-3-methoxypropan-2-yloxy)-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yloxy)-4-methoxy-2-methyltetrahydro-2H-pyran-3-yl acetate | CHEMBL1077467
Type:
Small organic molecule
Emp. Form.:
C61H100O21
Mol. Mass.:
1169.4341
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](OC(C)=O)[C@@H](C)O2)[C@H](C)O1 |r,w:43.43,46.46,c:20,41,t:23|
Structure:
Search PDB for entries with ligand similarity: