Reaction Details Report a problem with these data
Target
Polyphenol oxidase 1
Ligand
BDBM233168
Substrate
n/a
Meas. Tech.
In Vitro Tyrosinase Inhibition Assay
pH
6.8±n/a
Temperature
298.15±n/a K
IC50
1.09e+3± 1.9e+2 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:
White button mushroom
Description:
Q00024
Residue:
568
Sequence:
MSHLLVSPLGGGVQPRLEINNFVKNDRQFSLYVQALDRMYATPQNETASYFQVAGVHGYPLIPFDDAVGPTEFSPFDQWTGYCTHGSTLFPTWHRPYVLILEQILSGHAQQIADTYTVNKSEWKKAATEFRHPYWDWASNSVPPPEVISLPKVTITTPNGQKTSVANPLMRYTFNSVNDGGFYGPYNQWDTTLRQPDSTGVNAKDNVNRLKSVLKNAQASLTRATYDMFNRVTTWPHFSSHTPASGGSTSNSIEAIHDNIHVLVGGNGHMSDPSVAPFDPIFFLHHANVDRLIALWSAIRYDVWTSPGDAQFGTYTLRYKQSVDESTDLAPWWKTQNEYWKSNELRSTESLGYTYPEFVGLDMYNKDAVNKTISRKVAQLYGPQRGGQRSLVEDLSNSHARRSQRPAKRSRLGQLLKGLFSDWSAQIKFNRHEVGQSFSVCLFLGNVPEDPREWLVSPNLVGARHAFVRSVKTDHVAEEIGFIPINQWIAEHTGLPSFAVDLVKPLLAQGLQWRVLLADGTPAELDSLEVTILEVPSELTDDEPNPRSRPPRYHKDITHGKRGGCREA
  
Inhibitor
Name:
BDBM233168
Synonyms:
N-(2-Hydroxy-ethyl)-3,5-dinitro-benzamide (7)
Type:
Small organic molecule
Emp. Form.:
C9H9N3O6
Mol. Mass.:
255.1843
SMILES:
OCCNC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: