Reaction Details | |||
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Target | 4-hydroxyphenylpyruvate dioxygenase | ||
Ligand | BDBM50024729 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1438115 (CHEMBL3388490) | ||
Ki | 109±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 Chem22:5194-211 (2014) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
4-hydroxyphenylpyruvate dioxygenase | |||
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: |
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BDBM50024729 | |||
n/a | |||
Name | BDBM50024729 | ||
Synonyms: | CHEMBL3342430 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H19ClN4O3 | ||
Mol. Mass. | 422.864 | ||
SMILES | Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3Cl)c(=O)c2c1 |(13.19,-60.25,;12.02,-59.25,;10.52,-59.6,;9.73,-58.28,;8.19,-58.16,;10.73,-57.11,;10.37,-55.61,;12.15,-57.71,;13.47,-56.91,;13.44,-55.37,;14.82,-57.66,;14.85,-59.2,;16.19,-59.94,;17.51,-59.15,;18.87,-59.89,;20.19,-59.09,;21.54,-59.83,;20.16,-57.54,;21.47,-56.74,;22.82,-57.48,;24.13,-56.69,;24.1,-55.15,;25.42,-54.34,;22.74,-54.4,;21.43,-55.21,;20.08,-54.47,;18.8,-56.79,;18.76,-55.25,;17.48,-57.6,;16.13,-56.86,)| | ||
Structure |