Reaction Details Report a problem with these data
Target
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
Ligand
BDBM50142258
Substrate
n/a
Meas. Tech.
ChEMBL_65930 (CHEMBL679205)
IC50
77±n/a nM
Citation
 Hamann, LG; Ding, CZ; Miller, AV; Madsen, CS; Wang, P; Stein, PD; Pudzianowski, AT; Green, DW; Monshizadegan, H; Atwal, KS Benzodiazepine-based selective inhibitors of mitochondrial F1F0 ATP hydrolase. Bioorg Med Chem Lett 14:1031-4 (2004) [PubMed]  Article 
Target
Name:
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
Synonyms:
Mitochondrial complex V; ATP synthase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 65924
Components:
This complex has 4 components.
Component 1
Name:
ATP synthase subunit epsilon, mitochondrial
Synonyms:
ATP5E | ATP5E_BOVIN | ATP5F1E | ATPase subunit epsilon
Type:
PROTEIN
Mol. Mass.:
5790.87
Organism:
Bos taurus
Description:
EBI_100264
Residue:
51
Sequence:
MVAYWRQAGLSYIRYSQICAKAVRDALKTEFKANAMKTSGSTIKIVKVKKE
  
Component 2
Name:
ATP synthase subunit beta, mitochondrial
Synonyms:
ATP5B | ATP5F1B | ATPB_BOVIN
Type:
PROTEIN
Mol. Mass.:
56271.25
Organism:
Bos taurus
Description:
EBI_100264
Residue:
528
Sequence:
MLGLVGRVVAASASGALRGLSPSAPLPQAQLLLRAAPAALQPARDYAAQASPSPKAGATTGRIVAVIGAVVDVQFDEGLPPILNALEVQGRETRLVLEVAQHLGESTVRTIAMDGTEGLVRGQKVLDSGAPIRIPVGPETLGRIMNVIGEPIDERGPIKTKQFAAIHAEAPEFVEMSVEQEILVTGIKVVDLLAPYAKGGKIGLFGGAGVGKTVLIMELINNVAKAHGGYSVFAGVGERTREGNDLYHEMIESGVINLKDATSKVALVYGQMNEPPGARARVALTGLTVAEYFRDQEGQDVLLFIDNIFRFTQAGSEVSALLGRIPSAVGYQPTLATDMGTMQERITTTKKGSITSVQAIYVPADDLTDPAPATTFAHLDATTVLSRAIAELGIYPAVDPLDSTSRIMDPNIVGSEHYDVARGVQKILQDYKSLQDIIAILGMDELSEEDKLTVSRARKIQRFLSQPFQVAEVFTGHLGKLVPLKETIKGFQQILAGEYDHLPEQAFYMVGPIEEAVAKADKLAEEHS
  
Component 3
Name:
ATP synthase subunit gamma, mitochondrial
Synonyms:
ATP5C | ATP5C1 | ATP5F1C | ATPG_BOVIN | F-ATPase gamma subunit
Type:
PROTEIN
Mol. Mass.:
33081.70
Organism:
Bos taurus
Description:
ChEMBL_65923
Residue:
298
Sequence:
MFSRAGVAGLSAWTVQPQWIQVRNMATLKDITRRLKSIKNIQKITKSMKMVAAAKYARAERELKPARVYGVGSLALYEKADIKTPEDKKKHLIIGVSSDRGLCGAIHSSVAKQMKSEAANLAAAGKEVKIIGVGDKIRSILHRTHSDQFLVTFKEVGRRPPTFGDASVIALELLNSGYEFDEGSIIFNRFRSVISYKTEEKPIFSLDTISSAESMSIYDDIDADVLRNYQEYSLANIIYYSLKESTTSEQSARMTAMDNASKNASEMIDKLTLTFNRTRQAVITKELIEIISGAAALD
  
Component 4
Name:
ATP synthase subunit delta, mitochondrial
Synonyms:
ATP5D | ATP5F1D | ATPD_BOVIN | F-ATPase delta subunit
Type:
PROTEIN
Mol. Mass.:
17608.84
Organism:
Bos taurus
Description:
EBI_100264
Residue:
168
Sequence:
MLPSALLRRPGLGRLVRQVRLYAEAAAAQAPAAGPGQMSFTFASPTQVFFNSANVRQVDVPTQTGAFGILAAHVPTLQVLRPGLVVVHAEDGTTSKYFVSSGSVTVNADSSVQLLAEEAVTLDMLDLGAAKANLEKAQSELLGAADEATRAEIQIRIEANEALVKALE
  
Inhibitor
Name:
BDBM50142258
Synonyms:
4-(4-tert-Butyl-benzenesulfonyl)-1-(5-methyl-3H-imidazol-4-ylmethyl)-2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine | CHEMBL8153
Type:
Small organic molecule
Emp. Form.:
C32H38N4O2S
Mol. Mass.:
542.735
SMILES:
Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccccc12)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: