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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024724
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
58±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:
BDBM50024724
Synonyms:
CHEMBL3342600
Type:
Small organic molecule
Emp. Form.:
C21H18N4O3
Mol. Mass.:
374.3926
SMILES:
Cc1ccccc1-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(6.33,-13.22,;6.3,-11.68,;7.61,-10.88,;7.58,-9.34,;6.22,-8.6,;4.91,-9.4,;4.95,-10.93,;3.64,-11.73,;3.67,-13.28,;5.02,-14.02,;2.34,-14.09,;.99,-13.34,;-.34,-14.14,;-1.68,-13.39,;-1.7,-11.85,;-.4,-11.06,;.96,-11.79,;2.27,-10.98,;2.24,-9.44,;-3.06,-11.11,;-3.09,-9.57,;-4.37,-11.9,;-4.51,-13.44,;-6.01,-13.79,;-6.8,-12.47,;-8.33,-12.35,;-5.79,-11.31,;-6.16,-9.81,)|
Structure:
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