Reaction Details Report a problem with these data
Target
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
Ligand
BDBM50010132
Substrate
n/a
Meas. Tech.
ChEMBL_65923 (CHEMBL678318)
IC50
>100000±n/a nM
Citation
 Atwal, KS; Wang, P; Rogers, WL; Sleph, P; Monshizadegan, H; Ferrara, FN; Traeger, S; Green, DW; Grover, GJ Small molecule mitochondrial F1F0 ATPase hydrolase inhibitors as cardioprotective agents. Identification of 4-(N-arylimidazole)-substituted benzopyran derivatives as selective hydrolase inhibitors. J Med Chem 47:1081-4 (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:
BDBM50010132
Synonyms:
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin-1-yl)-chroman-6-carbonitrile | 1-((3S,4R)-6-Ethynyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-pyrrolidin-2-one | 3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin-1-yl)-chroman-6-carbonitrile | 3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin-1-yl)-chroman-6-carbonitrile (Lemakalim) | 3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin-1-yl)-chroman-6-carbonitrile(BRL 38227) | 3S,4R-3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin-1-yl)-chroman-6-carbonitrile | BRL-38227 | CHEMBL100 | Levcromakalim
Type:
Small organic molecule
Emp. Form.:
C16H18N2O3
Mol. Mass.:
286.3257
SMILES:
CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N1CCCC1=O)C#N |r|
Structure:
Search PDB for entries with ligand similarity: