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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024752
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
11±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:
BDBM50024752
Synonyms:
CHEMBL3343183
Type:
Small organic molecule
Emp. Form.:
C21H17BrN4O3
Mol. Mass.:
453.289
SMILES:
Cc1ccc(c(Br)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(7.71,-46.18,;6.4,-46.98,;6.43,-48.53,;5.12,-49.32,;3.77,-48.58,;3.73,-47.05,;2.38,-46.31,;5.04,-46.24,;2.46,-49.38,;2.49,-50.93,;3.84,-51.67,;1.16,-51.73,;-.2,-50.99,;-1.52,-51.78,;-2.87,-51.04,;-2.89,-49.5,;-1.58,-48.7,;-.24,-49.44,;1.09,-48.63,;1.06,-47.09,;-4.25,-48.75,;-4.28,-47.21,;-5.56,-49.55,;-5.69,-51.08,;-7.19,-51.44,;-7.98,-50.12,;-9.51,-49.99,;-6.98,-48.95,;-7.34,-47.45,)|
Structure:
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