Reaction Details
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Polyphenol oxidase 1 [N65D,S176D,K211T,P277A,P406L]
Ligand
BDBM173586
Substrate
n/a
Meas. Tech.
Enzymatic Activity Assay
pH
6.8±n/a
Ki
1.19e+4±n/a nM
IC50
2.56e+4± 1.1e+2 nM
Comments
extracted
Citation
Radhakrishnan, S; Shimmon, R; Conn, C; Baker, A Development of hydroxylated naphthylchalcones as polyphenol oxidase inhibitors: Synthesis, biochemistry and molecular docking studies. Bioorg Chem 63:116-22 (2015) [PubMed] Article More Info.:
Target
Name:
Polyphenol oxidase 1 [N65D,S176D,K211T,P277A,P406L]
Synonyms:
PPO1 | PPO1_AGABI | Polyphenol oxidase (PPO)
Type:
Protein
Mol. Mass.:
63874.81
Organism:
Agaricus bisporus (Mushroom)
Description:
K9HG96
Residue:
568
Sequence:
MSHLLVSPLGGGVQPRLEINNFVKNDRQFSLYVQALDRMYATPQNETASYFQVAGVHGYPLIPFNDAVGPTEFSPFDQWTGYCTHGSTLFPTWHRPYVLILEQILSGHAQQIADTYTVNKSEWKKAATEFRHPYWDWASNSVPPPEVISLPKVTITTPNGQKTSVANPLMRYTFNPVNDGGFYGPYNQWDTTLRQPDSTGVNAKDNVNRLTSVLKNAQASLTRATYDMFNRVTTWPHFSSHTPASGGSTSNSIEAIHDNIHVLVGGNGHMSDPSVAAFDPIFFLHHANVDRLIALWSAIRYDVWTSPGDAQFGTYTLRYKQSVDESTDLAPWWKTQNEYWKSNELRSTESLGYTYPEFVGLDMYNKDAVNKTISRKVAQLYGPQRGGQRSLVEDLSNSHARRSQRLAKRSRLGQLLKGLFSDWSAQIKFNRHEVGQSFSVCLFLGNVPEDPREWLVSPNLVGARHAFVRSVKTDHVAEEIGFIPINQWIAEHTGLPSFAVDLVKPLLAQGLQWRVLLADGTPAELDSLEVTILEVPSELTDDEPNPRSRPPRYHKDITHGKRGGCREA
Inhibitor
Name:
BDBM173586
Synonyms:
(2E)-1-(3-hydroxynaphthalen-2-yl)-3-(4-hydroxy-3-nitrophenyl) prop-2-en-1-one (4b)
Type:
Small organic molecule
Emp. Form.:
C19H13NO5
Mol. Mass.:
335.3102
SMILES:
Oc1ccc(\C=C\C(=O)c2cc3ccccc3cc2O)cc1[N+]([O-])=O
Structure:
