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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024727
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
15±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:
BDBM50024727
Synonyms:
CHEMBL3342432
Type:
Small organic molecule
Emp. Form.:
C20H15FN4O3
Mol. Mass.:
378.3565
SMILES:
Cc1nc2ccc(cc2c(=O)n1-c1ccccc1F)C(=O)c1cnn(C)c1O |(22.4,-6.56,;21.05,-5.81,;19.72,-6.62,;18.37,-5.87,;17.05,-6.67,;15.7,-5.92,;15.67,-4.38,;16.98,-3.59,;18.33,-4.32,;19.65,-3.51,;19.61,-1.97,;21.01,-4.26,;22.33,-3.46,;22.29,-1.93,;23.6,-1.13,;24.96,-1.87,;24.99,-3.41,;23.67,-4.21,;23.7,-5.75,;14.33,-3.64,;14.29,-2.1,;13.01,-4.43,;12.88,-5.97,;11.38,-6.32,;10.58,-5,;9.05,-4.88,;11.58,-3.84,;11.23,-2.34,)|
Structure:
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