Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
LigandBDBM50142258
Substrate/Competitorn/a
Meas. Tech.ChEMBL_65930 (CHEMBL679205)
IC50 77±n/a nM
Citation Hamann, LGDing, CZMiller, AVMadsen, CSWang, PStein, PDPudzianowski, ATGreen, DWMonshizadegan, HAtwal, KS Benzodiazepine-based selective inhibitors of mitochondrial F1F0 ATP hydrolase. Bioorg Med Chem Lett14:1031-4 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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:
MLGLVGRVVAASASGALRGLSPSAPLPQAQLLLRAAPAALQPARDYAAQASPSPKAGATT
GRIVAVIGAVVDVQFDEGLPPILNALEVQGRETRLVLEVAQHLGESTVRTIAMDGTEGLV
RGQKVLDSGAPIRIPVGPETLGRIMNVIGEPIDERGPIKTKQFAAIHAEAPEFVEMSVEQ
EILVTGIKVVDLLAPYAKGGKIGLFGGAGVGKTVLIMELINNVAKAHGGYSVFAGVGERT
REGNDLYHEMIESGVINLKDATSKVALVYGQMNEPPGARARVALTGLTVAEYFRDQEGQD
VLLFIDNIFRFTQAGSEVSALLGRIPSAVGYQPTLATDMGTMQERITTTKKGSITSVQAI
YVPADDLTDPAPATTFAHLDATTVLSRAIAELGIYPAVDPLDSTSRIMDPNIVGSEHYDV
ARGVQKILQDYKSLQDIIAILGMDELSEEDKLTVSRARKIQRFLSQPFQVAEVFTGHLGK
LVPLKETIKGFQQILAGEYDHLPEQAFYMVGPIEEAVAKADKLAEEHS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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:
MFSRAGVAGLSAWTVQPQWIQVRNMATLKDITRRLKSIKNIQKITKSMKMVAAAKYARAE
RELKPARVYGVGSLALYEKADIKTPEDKKKHLIIGVSSDRGLCGAIHSSVAKQMKSEAAN
LAAAGKEVKIIGVGDKIRSILHRTHSDQFLVTFKEVGRRPPTFGDASVIALELLNSGYEF
DEGSIIFNRFRSVISYKTEEKPIFSLDTISSAESMSIYDDIDADVLRNYQEYSLANIIYY
SLKESTTSEQSARMTAMDNASKNASEMIDKLTLTFNRTRQAVITKELIEIISGAAALD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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:
MLPSALLRRPGLGRLVRQVRLYAEAAAAQAPAAGPGQMSFTFASPTQVFFNSANVRQVDV
PTQTGAFGILAAHVPTLQVLRPGLVVVHAEDGTTSKYFVSSGSVTVNADSSVQLLAEEAV
TLDMLDLGAAKANLEKAQSELLGAADEATRAEIQIRIEANEALVKALE
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50142258
n/a
NameBDBM50142258
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
TypeSmall organic molecule
Emp. Form.C32H38N4O2S
Mol. Mass.542.735
SMILESCc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccccc12)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: