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Target
ATP synthase subunit beta, mitochondrial
Ligand
BDBM50311124
Substrate
n/a
Meas. Tech.
ChEMBL_619845 (CHEMBL1106722)
IC50
400±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:
BDBM50311124
Synonyms:
(2R,3R,4S,5S)-6-((R)-2-((2R,4S,5S,6S)-5-((2S,4R,5R,6R)-5-acetoxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-4-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yloxy)-3-methoxypropyl)-2-((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)-2-hydroxy-3,5-dimethyltetrahydro-2H-pyran-4-yl acetate | CHEMBL1077466
Type:
Small organic molecule
Emp. Form.:
C63H102O22
Mol. Mass.:
1211.4708
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](OC(C)=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: