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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50075319
Substrate
n/a
Meas. Tech.
ChEMBL_541 (CHEMBL857062)
IC50
40±n/a nM
Citation
 Huang, M; Yang, DY; Shang, Z; Zou, J; Yu, Q 3D-QSAR studies on 4-hydroxyphenylpyruvate dioxygenase inhibitors by comparative molecular field analysis (CoMFA). Bioorg Med Chem Lett 12:2271-5 (2002) [PubMed]  Article 
Target
Name:
4-hydroxyphenylpyruvate dioxygenase
Synonyms:
HPD | HPPD_PIG
Type:
PROTEIN
Mol. Mass.:
45064.25
Organism:
Sus scrofa
Description:
ChEMBL_541
Residue:
393
Sequence:
MTSYSDKGEKPERGRFLHFHSVTFWVGNAKQAASYYCSKIGFEPLAYKGLETGSREVVSHVVKQDKIVFVFSSALNPWNKEMGDHLVKHGDGVKDIAFEVEDCDYIVQKARERGAIIVREEVCCAADVRGHHTPLDRARQVWEGTLVEKMTFCLDSRPQPSQTLLHRLLLSKLPKCGLEIIDHIVGNQPDQEMESASQWYMRNLQFHRFWSVDDTQIHTEYSALRSVVMANYEESIKMPINEPAPGKKKSQIQEYVDYNGGAGVQHIALKTEDIITAIRSLRERGVEFLAVPFTYYKQLQEKLKSAKIRVKESIDVLEELKILVDYDEKGYLLQIFTKPMQDRPTVFLEVIQRNNHQGFGAGNFNSLFKAFEEEQELRGNLTDTDPNGVPFRL
  
Inhibitor
Name:
BDBM50075319
Synonyms:
2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE | 3-Hydroxy-2-(2-nitro-4-trifluoromethyl-benzoyl)-cyclohex-2-enone | CHEMBL23996
Type:
Small organic molecule
Emp. Form.:
C14H10F3NO5
Mol. Mass.:
329.2281
SMILES:
[O-]C1=C(C(=[OH+])c2ccc(cc2[N+]([O-])=O)C(F)(F)F)C(=O)CCC1 |c:1|
Structure:
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