Reaction Details Report a problem with these data
Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024745
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
207±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:
BDBM50024745
Synonyms:
CHEMBL3342414
Type:
Small organic molecule
Emp. Form.:
C22H20N4O4
Mol. Mass.:
404.4186
SMILES:
COc1ccccc1-n1c(C)nc2ccc(cc2c1=O)C(=O)c1c(C)nn(C)c1O |(49.35,-.46,;49.39,-2,;50.75,-2.74,;52.06,-1.94,;53.42,-2.68,;53.45,-4.22,;52.13,-5.01,;50.79,-4.27,;49.47,-5.07,;49.51,-6.62,;50.86,-7.36,;48.18,-7.42,;46.83,-6.68,;45.51,-7.48,;44.16,-6.73,;44.13,-5.19,;45.44,-4.4,;46.79,-5.13,;48.11,-4.32,;48.07,-2.78,;42.78,-4.45,;42.75,-2.91,;41.47,-5.24,;41.34,-6.78,;42.5,-7.78,;39.84,-7.13,;39.04,-5.81,;37.51,-5.69,;40.04,-4.64,;39.69,-3.15,)|
Structure:
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