Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMitochondrial complex V; ATP synthase
LigandBDBM50404312
Substrate/Competitorn/a
Meas. Tech.ChEMBL_65930
IC50 939±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
 
Mitochondrial complex V; ATP synthase
Name:Mitochondrial complex V; ATP synthase
Synonyms:n/a
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 | 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
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 | 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 | 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:
BDBM50404312
NameBDBM50404312
Synonyms:CHEMBL8406
TypeSmall organic molecule
Emp. Form.C28H26ClN5O2S
Mol. Mass.532.056
SMILESClc1cc(ccc1S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)C#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a