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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024747
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
86±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:
BDBM50024747
Synonyms:
CHEMBL3342412
Type:
Small organic molecule
Emp. Form.:
C21H17ClN4O3
Mol. Mass.:
408.838
SMILES:
Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccccc3Cl)c(=O)c2c1 |(5.74,-6.55,;4.58,-5.55,;3.08,-5.9,;2.28,-4.58,;.75,-4.46,;3.28,-3.42,;2.93,-1.92,;4.71,-4.01,;6.03,-3.22,;6,-1.68,;7.38,-3.96,;7.4,-5.5,;8.75,-6.25,;10.07,-5.45,;11.42,-6.2,;12.75,-5.39,;14.1,-6.14,;12.71,-3.84,;14.03,-3.04,;13.99,-1.51,;15.3,-.71,;16.66,-1.45,;16.69,-2.99,;15.37,-3.79,;15.4,-5.33,;11.35,-3.09,;11.31,-1.55,;10.03,-3.9,;8.68,-3.17,)|
Structure:
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