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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024753
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
40±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:
BDBM50024753
Synonyms:
CHEMBL3343182
Type:
Small organic molecule
Emp. Form.:
C21H17FN4O3
Mol. Mass.:
392.3831
SMILES:
Cc1cc(F)ccc1-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(59.16,-38.71,;60.52,-39.45,;61.83,-38.65,;63.19,-39.39,;64.5,-38.59,;63.22,-40.93,;61.9,-41.73,;60.56,-40.98,;59.24,-41.78,;59.28,-43.33,;60.63,-44.08,;57.95,-44.14,;56.6,-43.39,;55.28,-44.19,;53.93,-43.44,;53.9,-41.9,;55.21,-41.11,;56.56,-41.84,;57.88,-41.03,;57.84,-39.49,;52.55,-41.16,;52.52,-39.62,;51.24,-41.95,;51.1,-43.49,;49.61,-43.84,;48.81,-42.52,;47.28,-42.4,;49.81,-41.36,;49.46,-39.86,)|
Structure:
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