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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024746
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
248±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:
BDBM50024746
Synonyms:
CHEMBL3342413
Type:
Small organic molecule
Emp. Form.:
C22H20N4O3
Mol. Mass.:
388.4192
SMILES:
Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccccc3C)c(=O)c2c1 |(24.94,-6.21,;23.77,-5.21,;22.27,-5.56,;21.48,-4.24,;19.95,-4.11,;22.48,-3.07,;22.13,-1.57,;23.9,-3.67,;25.22,-2.87,;25.19,-1.33,;26.57,-3.62,;26.6,-5.16,;27.95,-5.9,;29.26,-5.11,;30.62,-5.85,;31.95,-5.05,;33.3,-5.79,;31.91,-3.5,;33.23,-2.7,;33.18,-1.17,;34.49,-.36,;35.85,-1.1,;35.89,-2.65,;34.57,-3.44,;34.6,-4.98,;30.55,-2.75,;30.51,-1.21,;29.23,-3.56,;27.88,-2.82,)|
Structure:
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