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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024749
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
90±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:
BDBM50024749
Synonyms:
CHEMBL3343186
Type:
Small organic molecule
Emp. Form.:
C21H17ClN4O3
Mol. Mass.:
408.838
SMILES:
Cc1ccc(c(Cl)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(60,-48.32,;58.68,-49.12,;58.71,-50.67,;57.4,-51.46,;56.06,-50.72,;56.01,-49.19,;54.66,-48.45,;57.32,-48.38,;54.74,-51.52,;54.77,-53.07,;56.12,-53.81,;53.45,-53.87,;52.09,-53.13,;50.77,-53.92,;49.43,-53.18,;49.4,-51.64,;50.71,-50.84,;52.06,-51.58,;53.38,-50.77,;53.34,-49.23,;48.05,-50.89,;48.02,-49.35,;46.73,-51.69,;46.6,-53.23,;45.1,-53.58,;44.31,-52.26,;42.77,-52.14,;45.31,-51.09,;44.95,-49.59,)|
Structure:
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