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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024730
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
177±n/a nM
Citation
 Xu, YL; Lin, HY; Cao, RJ; Ming, ZZ; Yang, WC; Yang, GF Pyrazolone-quinazolone hybrids: a novel class of human 4-hydroxyphenylpyruvate dioxygenase inhibitors. Bioorg Med Chem 22:5194-211 (2014) [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:
BDBM50024730
Synonyms:
CHEMBL3342429
Type:
Small organic molecule
Emp. Form.:
C22H19ClN4O3
Mol. Mass.:
422.864
SMILES:
Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(Cl)cc3C)c(=O)c2c1 |(40.51,-51.09,;39.34,-50.08,;37.84,-50.44,;37.05,-49.12,;35.52,-48.99,;38.05,-47.95,;37.7,-46.45,;39.48,-48.55,;40.79,-47.75,;40.76,-46.21,;42.14,-48.49,;42.17,-50.04,;43.52,-50.78,;44.83,-49.99,;46.19,-50.73,;47.52,-49.93,;48.87,-50.67,;47.48,-48.38,;48.8,-47.58,;50.14,-48.32,;51.46,-47.52,;51.42,-45.98,;52.74,-45.18,;50.06,-45.24,;48.75,-46.04,;47.4,-45.31,;46.12,-47.63,;46.08,-46.09,;44.8,-48.44,;43.45,-47.7,)|
Structure:
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