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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024732
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
219±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:
BDBM50024732
Synonyms:
CHEMBL3342427
Type:
Small organic molecule
Emp. Form.:
C22H19FN4O3
Mol. Mass.:
406.4097
SMILES:
Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(F)cc3C)c(=O)c2c1 |(1.67,-50.37,;.51,-49.37,;-1,-49.72,;-1.79,-48.4,;-3.32,-48.28,;-.79,-47.23,;-1.15,-45.74,;.64,-47.83,;1.96,-47.04,;1.93,-45.5,;3.31,-47.78,;3.33,-49.32,;4.68,-50.07,;6,-49.27,;7.35,-50.02,;8.68,-49.21,;10.03,-49.95,;8.65,-47.66,;9.96,-46.86,;11.31,-47.61,;12.62,-46.81,;12.59,-45.27,;13.91,-44.47,;11.23,-44.53,;9.92,-45.33,;8.57,-44.59,;7.28,-46.91,;7.25,-45.37,;5.96,-47.72,;4.62,-46.99,)|
Structure:
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