Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024726
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
22±n/a nM
Citation
 Xu, YLLin, HYCao, RJMing, ZZYang, WCYang, 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:
BDBM50024726
Synonyms:
CHEMBL3342598
Type:
Small organic molecule
Emp. Form.:
C20H15ClN4O3
Mol. Mass.:
394.811
SMILES:
Cc1nc2ccc(cc2c(=O)n1-c1ccccc1Cl)C(=O)c1cnn(C)c1O |(39.95,-6.5,;38.6,-5.76,;37.27,-6.56,;35.91,-5.82,;34.6,-6.61,;33.25,-5.87,;33.22,-4.32,;34.53,-3.53,;35.88,-4.27,;37.2,-3.46,;37.16,-1.92,;38.56,-4.21,;39.88,-3.41,;39.83,-1.87,;41.14,-1.07,;42.5,-1.81,;42.54,-3.35,;41.22,-4.15,;41.25,-5.69,;31.87,-3.58,;31.84,-2.04,;30.55,-4.38,;30.42,-5.91,;28.92,-6.27,;28.13,-4.95,;26.6,-4.82,;29.13,-3.78,;28.78,-2.28,)|
Structure:
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