Reaction Details Report a problem with these data
Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50264305
Substrate
n/a
Meas. Tech.
ChEMBL_1698554 (CHEMBL4049536)
Ki
5.0±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:
BDBM50264305
Synonyms:
CHEMBL4102251
Type:
Small organic molecule
Emp. Form.:
C24H22N2O5
Mol. Mass.:
418.4419
SMILES:
CCn1c2ccc(cc2c(=O)n(-c2ccccc2C)c1=O)C(=O)C1C(=O)CCCC1=O |(23.66,-34.72,;25,-33.95,;25,-32.41,;23.68,-31.64,;22.34,-32.41,;21.01,-31.63,;21.02,-30.09,;22.35,-29.33,;23.68,-30.09,;25.02,-29.32,;25.02,-27.78,;26.35,-30.1,;27.69,-29.34,;27.69,-27.81,;29.02,-27.04,;30.36,-27.82,;30.35,-29.36,;29.02,-30.12,;29.01,-31.66,;26.35,-31.65,;27.68,-32.43,;19.69,-29.32,;19.69,-27.78,;18.35,-30.08,;17.02,-29.31,;17.02,-27.77,;15.7,-30.08,;15.7,-31.62,;17.02,-32.39,;18.35,-31.62,;19.69,-32.4,)|
Structure:
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