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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024750
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
170±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:
BDBM50024750
Synonyms:
CHEMBL3343185
Type:
Small organic molecule
Emp. Form.:
C21H17FN4O3
Mol. Mass.:
392.3831
SMILES:
Cc1ccc(c(F)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(40.08,-48.16,;38.76,-48.96,;38.79,-50.5,;37.48,-51.3,;36.14,-50.56,;36.09,-49.02,;34.74,-48.29,;37.4,-48.22,;34.82,-51.36,;34.85,-52.91,;36.2,-53.65,;33.53,-53.71,;32.17,-52.97,;30.85,-53.76,;29.51,-53.02,;29.48,-51.47,;30.79,-50.68,;32.14,-51.42,;33.46,-50.61,;33.42,-49.07,;28.13,-50.73,;28.1,-49.19,;26.81,-51.53,;26.68,-53.06,;25.18,-53.42,;24.39,-52.1,;22.85,-51.97,;25.39,-50.93,;25.03,-49.43,)|
Structure:
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