Reaction Details Report a problem with these data
Target
Mitochondrial peptide methionine sulfoxide reductase
Ligand
BDBM71076
Substrate
n/a
IC50
44774±n/a nM
Citation
 PubChem, PC Absorbance-based biochemical high throughput dose response assay to identify inhibitors of Methionine sulfoxide reductase A (MsrA) PubChem Bioassay (2013)[AID] 
Target
Name:
Mitochondrial peptide methionine sulfoxide reductase
Synonyms:
MSRA | MSRA protein | MSRA_BOVIN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
25822.90
Organism:
Bos taurus
Description:
gi_73586699
Residue:
233
Sequence:
MLSATRRALQLFHSLFPIPRMGDSAAKIVSPQEALPGRKEPLVVAAKHHVNGNRTVEPFPEGTQMAVFGMGCFWGAERKFWTLKGVYSTQVGFAGGYTPNPTYKEVCSGKTGHAEVVRVVFQPEHISFEELLKVFWENHDPTQGMRQGNDHGSQYRSAIYPTSAEHVGAALKSKEDYQKVLSEHGFGLITTDIREGQTFYYAEDYHQQYLSKDPDGYCGLGGTGVSCPLGIKK
  
Inhibitor
Name:
BDBM71076
Synonyms:
1,1,3-trimethyl-N-[(E)-1-(methylthio)-2-nitroethenyl]-2,3-dihydroinden-4-amine | 1,1,3-trimethyl-N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]-2,3-dihydroinden-4-amine | 1,1,3-trimethyl-N-[(E)-1-methylsulfanyl-2-nitroethenyl]-2,3-dihydroinden-4-amine | MLS000755780 | N-[(E)-1-(methylsulfanyl)-2-nitroethenyl]-N-(1,1,3-trimethyl-2,3-dihydro-1H-inden-4-yl)amine | SMR000337443 | [(E)-1-(methylthio)-2-nitro-vinyl]-(1,1,3-trimethylindan-4-yl)amine | cid_16195208
Type:
Small organic molecule
Emp. Form.:
C15H20N2O2S
Mol. Mass.:
292.397
SMILES:
CS\C([CH-][N+]([O-])=O)=[NH+]/c1cccc2c1C(C)CC2(C)C
Structure:
Search PDB for entries with ligand similarity: