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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024748
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
59±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:
BDBM50024748
Synonyms:
CHEMBL3343187
Type:
Small organic molecule
Emp. Form.:
C22H20N4O3
Mol. Mass.:
388.4192
SMILES:
Cc1ccc(c(C)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(30.83,-34.46,;29.51,-35.26,;29.55,-36.8,;28.23,-37.6,;26.89,-36.85,;26.84,-35.32,;25.49,-34.58,;28.16,-34.52,;25.57,-37.65,;25.61,-39.2,;26.96,-39.95,;24.28,-40.01,;22.92,-39.26,;21.61,-40.06,;20.26,-39.31,;20.23,-37.77,;21.54,-36.98,;22.89,-37.71,;24.21,-36.9,;24.17,-35.36,;18.88,-37.03,;18.85,-35.49,;17.57,-37.82,;17.43,-39.36,;15.94,-39.71,;15.14,-38.39,;13.61,-38.27,;16.14,-37.23,;15.79,-35.73,)|
Structure:
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