Reaction Details Report a problem with these data
Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50264309
Substrate
n/a
Meas. Tech.
ChEMBL_1698554 (CHEMBL4049536)
Ki
7.0±n/a nM
Citation
 Santucci, A; Bernardini, G; Braconi, D; Petricci, E; Manetti, F 4-Hydroxyphenylpyruvate Dioxygenase and Its Inhibition in Plants and Animals: Small Molecules as Herbicides and Agents for the Treatment of Human Inherited Diseases. J Med Chem 60:4101-4125 (2017) [PubMed]  Article 
Target
Name:
4-hydroxyphenylpyruvate dioxygenase
Synonyms:
1.13.11.27 | 4-hydroxyphenylpyruvate dioxygenase | 4-hydroxyphenylpyruvic acid oxidase | 4HPPD | HPD | HPPD_ARATH | PDS1
Type:
PROTEIN
Mol. Mass.:
48808.34
Organism:
Arabidopsis thaliana
Description:
ChEMBL_105530
Residue:
445
Sequence:
MGHQNAAVSENQNHDDGAASSPGFKLVGFSKFVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEKTLEAKQLVG
  
Inhibitor
Name:
BDBM50264309
Synonyms:
CHEMBL4060588
Type:
Small organic molecule
Emp. Form.:
C19H16N2O3
Mol. Mass.:
320.3419
SMILES:
CC1CC(=O)C(C(=O)c2cc3cccc(C)c3nc2C#N)C(=O)C1 |(52.99,-30.01,;54.32,-29.24,;54.32,-27.7,;55.65,-26.92,;55.65,-25.38,;56.98,-27.7,;58.32,-26.93,;58.32,-25.39,;59.65,-27.71,;59.64,-29.25,;60.97,-30.02,;60.97,-31.55,;62.3,-32.32,;63.63,-31.55,;63.63,-30.02,;64.96,-29.24,;62.3,-29.25,;62.31,-27.71,;60.98,-26.94,;60.97,-25.41,;60.97,-23.87,;56.98,-29.24,;58.31,-30.01,;55.65,-30,)|
Structure:
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