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Target
4-hydroxyphenylpyruvate dioxygenase
Ligand
BDBM50024734
Substrate
n/a
Meas. Tech.
ChEMBL_1438115 (CHEMBL3388490)
Ki
161±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:
BDBM50024734
Synonyms:
CHEMBL3342425
Type:
Small organic molecule
Emp. Form.:
C23H22N4O3
Mol. Mass.:
402.4458
SMILES:
Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3C)c(=O)c2c1 |(19.88,-42.14,;18.71,-41.13,;17.21,-41.48,;16.42,-40.17,;14.88,-40.04,;17.42,-39,;17.06,-37.5,;18.84,-39.6,;20.16,-38.8,;20.13,-37.26,;21.51,-39.54,;21.53,-41.09,;22.88,-41.83,;24.2,-41.04,;25.55,-41.78,;26.88,-40.98,;28.23,-41.72,;26.85,-39.43,;28.16,-38.63,;29.51,-39.37,;30.82,-38.57,;30.79,-37.03,;32.11,-36.23,;29.43,-36.29,;28.12,-37.09,;26.77,-36.36,;25.48,-38.68,;25.45,-37.14,;24.17,-39.49,;22.82,-38.75,)|
Structure:
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