Reaction Details Report a problem with these data
Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50264308
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:
BDBM50264308
Synonyms:
CHEMBL4061385
Type:
Small organic molecule
Emp. Form.:
C19H19NO3
Mol. Mass.:
309.3591
SMILES:
CC1CC(=O)C(C(=O)c2cc3cccc(C)c3nc2C)C(=O)C1 |(27.92,-30.13,;29.26,-29.36,;29.26,-27.82,;30.58,-27.04,;30.58,-25.5,;31.91,-27.82,;33.25,-27.05,;33.25,-25.51,;34.58,-27.82,;34.57,-29.37,;35.9,-30.14,;35.9,-31.67,;37.23,-32.44,;38.56,-31.66,;38.56,-30.13,;39.89,-29.36,;37.24,-29.37,;37.24,-27.83,;35.91,-27.06,;35.91,-25.52,;31.91,-29.36,;33.25,-30.13,;30.58,-30.12,)|
Structure:
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