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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024733
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
81±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:
BDBM50024733
Synonyms:
CHEMBL3342426
Type:
Small organic molecule
Emp. Form.:
C22H19FN4O3
Mol. Mass.:
406.4097
SMILES:
Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3F)c(=O)c2c1 |(40.74,-42.2,;39.58,-41.19,;38.08,-41.55,;37.28,-40.23,;35.75,-40.1,;38.28,-39.06,;37.93,-37.56,;39.71,-39.66,;41.03,-38.86,;41,-37.32,;42.38,-39.61,;42.4,-41.15,;43.75,-41.89,;45.07,-41.1,;46.42,-41.84,;47.75,-41.04,;49.1,-41.78,;47.72,-39.49,;49.03,-38.69,;50.37,-39.43,;51.69,-38.63,;51.66,-37.09,;52.97,-36.29,;50.3,-36.35,;48.99,-37.15,;47.63,-36.42,;46.35,-38.74,;46.32,-37.2,;45.03,-39.55,;43.68,-38.81,)|
Structure:
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