Reaction Details Report a problem with these data
Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50264374
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:
BDBM50264374
Synonyms:
CHEMBL4069617
Type:
Small organic molecule
Emp. Form.:
C19H19NO4
Mol. Mass.:
325.3585
SMILES:
COc1nc2c(C)cccc2cc1C(=O)C1C(=O)CC(C)CC1=O |(47.5,-24.58,;48.84,-25.35,;48.84,-26.89,;50.17,-27.65,;50.16,-29.2,;51.49,-29.96,;52.82,-29.19,;51.49,-31.49,;50.16,-32.27,;48.83,-31.5,;48.83,-29.96,;47.5,-29.19,;47.51,-27.65,;46.18,-26.88,;46.18,-25.34,;44.84,-27.64,;43.51,-26.87,;43.51,-25.33,;42.18,-27.64,;42.18,-29.18,;40.85,-29.96,;43.51,-29.95,;44.84,-29.18,;46.17,-29.96,)|
Structure:
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