Reaction Details Report a problem with these data
Target
Polyphenol oxidase 1
Ligand
BDBM233167
Substrate
n/a
Meas. Tech.
In Vitro Tyrosinase Inhibition Assay
pH
6.8±n/a
Temperature
298.15±n/a K
IC50
2.972e+4± 1.83e+3 nM
Comments
extracted
Citation
 Khan, SB; Hassan Khan, MT; Jang, ES; Akhtar, K; Seo, J; Han, H Tyrosinase inhibitory effect of benzoic acid derivatives and their structure-activity relationships. J Enzyme Inhib Med Chem 25:812-7 (2010) [PubMed]  Article 
Target
Name:
Polyphenol oxidase 1
Synonyms:
PPO1 | PPO1_AGABI | Polyphenol oxidase | Tyrosinase
Type:
Enzyme
Mol. Mass.:
63902.83
Organism:
Agaricus bisporus (White button mushroom)
Description:
Q00024
Residue:
568
Sequence:
MSHLLVSPLGGGVQPRLEINNFVKNDRQFSLYVQALDRMYATPQNETASYFQVAGVHGYPLIPFDDAVGPTEFSPFDQWTGYCTHGSTLFPTWHRPYVLILEQILSGHAQQIADTYTVNKSEWKKAATEFRHPYWDWASNSVPPPEVISLPKVTITTPNGQKTSVANPLMRYTFNSVNDGGFYGPYNQWDTTLRQPDSTGVNAKDNVNRLKSVLKNAQASLTRATYDMFNRVTTWPHFSSHTPASGGSTSNSIEAIHDNIHVLVGGNGHMSDPSVAPFDPIFFLHHANVDRLIALWSAIRYDVWTSPGDAQFGTYTLRYKQSVDESTDLAPWWKTQNEYWKSNELRSTESLGYTYPEFVGLDMYNKDAVNKTISRKVAQLYGPQRGGQRSLVEDLSNSHARRSQRPAKRSRLGQLLKGLFSDWSAQIKFNRHEVGQSFSVCLFLGNVPEDPREWLVSPNLVGARHAFVRSVKTDHVAEEIGFIPINQWIAEHTGLPSFAVDLVKPLLAQGLQWRVLLADGTPAELDSLEVTILEVPSELTDDEPNPRSRPPRYHKDITHGKRGGCREA
  
Inhibitor
Name:
BDBM233167
Synonyms:
4-Nitro-phenyl-(4-nitro-2-trifluoromethyl)-benzoate (6)
Type:
Small organic molecule
Emp. Form.:
C14H7F3N2O6
Mol. Mass.:
356.2104
SMILES:
[O-][N+](=O)c1ccc(OC(=O)c2ccc(cc2C(F)(F)F)[N+]([O-])=O)cc1
Structure:
Search PDB for entries with ligand similarity: