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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024729
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
109±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:
BDBM50024729
Synonyms:
CHEMBL3342430
Type:
Small organic molecule
Emp. Form.:
C22H19ClN4O3
Mol. Mass.:
422.864
SMILES:
Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3Cl)c(=O)c2c1 |(13.19,-60.25,;12.02,-59.25,;10.52,-59.6,;9.73,-58.28,;8.19,-58.16,;10.73,-57.11,;10.37,-55.61,;12.15,-57.71,;13.47,-56.91,;13.44,-55.37,;14.82,-57.66,;14.85,-59.2,;16.19,-59.94,;17.51,-59.15,;18.87,-59.89,;20.19,-59.09,;21.54,-59.83,;20.16,-57.54,;21.47,-56.74,;22.82,-57.48,;24.13,-56.69,;24.1,-55.15,;25.42,-54.34,;22.74,-54.4,;21.43,-55.21,;20.08,-54.47,;18.8,-56.79,;18.76,-55.25,;17.48,-57.6,;16.13,-56.86,)|
Structure:
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