Reaction Details Report a problem with these data
Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50536951
Substrate
n/a
Meas. Tech.
ChEMBL_1935273 (CHEMBL4481032)
IC50
168±n/a nM
Citation
 Ndikuryayo, F; Kang, WM; Wu, FX; Yang, WC; Yang, GF Hydrophobicity-oriented drug design (HODD) of new human 4-hydroxyphenylpyruvate dioxygenase inhibitors. Eur J Med Chem 166:22-31 (2019) [PubMed]  Article 
Target
Name:
4-hydroxyphenylpyruvate dioxygenase
Synonyms:
4-hydroxyphenylpyruvate dioxygenase | 4-hydroxyphenylpyruvic acid oxidase | 4HPPD | HPD | HPPD_HUMAN | PPD
Type:
PROTEIN
Mol. Mass.:
44937.33
Organism:
Homo sapiens (Human)
Description:
ChEMBL_123
Residue:
393
Sequence:
MTTYSDKGAKPERGRFLHFHSVTFWVGNAKQAASFYCSKMGFEPLAYRGLETGSREVVSHVIKQGKIVFVLSSALNPWNKEMGDHLVKHGDGVKDIAFEVEDCDYIVQKARERGAKIMREPWVEQDKFGKVKFAVLQTYGDTTHTLVEKMNYIGQFLPGYEAPAFMDPLLPKLPKCSLEMIDHIVGNQPDQEMVSASEWYLKNLQFHRFWSVDDTQVHTEYSSLRSIVVANYEESIKMPINEPAPGKKKSQIQEYVDYNGGAGVQHIALKTEDIITAIRHLRERGLEFLSVPSTYYKQLREKLKTAKIKVKENIDALEELKILVDYDEKGYLLQIFTKPVQDRPTLFLEVIQRHNHQGFGAGNFNSLFKAFEEEQNLRGNLTNMETNGVVPGM
  
Inhibitor
Name:
BDBM50536951
Synonyms:
CHEMBL4564075
Type:
Small organic molecule
Emp. Form.:
C22H21NO6
Mol. Mass.:
395.4052
SMILES:
CC1CC(O)=C(C(=O)c2cccc(OCc3ccc(C)cc3)c2[N+]([O-])=O)C(=O)C1 |t:4|
Structure:
Search PDB for entries with ligand similarity: