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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024744
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
79±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:
BDBM50024744
Synonyms:
CHEMBL3342415
Type:
Small organic molecule
Emp. Form.:
C21H17FN4O3
Mol. Mass.:
392.3831
SMILES:
Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccccc3F)c(=O)c2c1 |(4.02,-15.93,;2.85,-14.93,;1.35,-15.28,;.56,-13.96,;-.98,-13.84,;1.56,-12.8,;1.2,-11.3,;2.98,-13.39,;4.3,-12.6,;4.27,-11.06,;5.65,-13.34,;5.68,-14.88,;7.02,-15.63,;8.34,-14.83,;9.7,-15.58,;11.02,-14.77,;12.37,-15.52,;10.99,-13.22,;12.3,-12.42,;13.65,-13.17,;14.96,-12.37,;14.93,-10.83,;13.57,-10.09,;12.26,-10.89,;10.91,-10.15,;9.63,-12.47,;9.59,-10.93,;8.31,-13.28,;6.96,-12.55,)|
Structure:
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