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Target
Urease subunit beta
Ligand
BDBM50049400
Substrate
n/a
Meas. Tech.
ChEMBL_956072 (CHEMBL2379097)
IC50
43700±n/a nM
Citation
 Xiao, ZP; Peng, ZY; Dong, JJ; He, J; Ouyang, H; Feng, YT; Lu, CL; Lin, WQ; Wang, JX; Xiang, YP; Zhu, HL Synthesis, structure-activity relationship analysis and kinetics study of reductive derivatives of flavonoids as Helicobacter pylori urease inhibitors. Eur J Med Chem 63:685-95 (2013) [PubMed]  Article 
Target
Name:
Urease subunit beta
Synonyms:
3.5.1.5 | URE1_HELPY | Urea amidohydrolase subunit beta | Urease subunit beta | hpuB | ureB
Type:
PROTEIN
Mol. Mass.:
61676.43
Organism:
Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)
Description:
ChEMBL_117195
Residue:
569
Sequence:
MKKISRKEYVSMYGPTTGDKVRLGDTDLIAEVEHDYTIYGEELKFGGGKTLREGMSQSNNPSKEELDLIITNALIVDYTGIYKADIGIKDGKIAGIGKGGNKDMQDGVKNNLSVGPATEALAGEGLIVTAGGIDTHIHFISPQQIPTAFASGVTTMIGGGTGPADGTNATTITPGRRNLKWMLRAAEEYSMNLGFLAKGNASNDASLADQIEAGAIGFKIHEDWGTTPSAINHALDVADKYDVQVAIHTDTLNEAGCVEDTMAAIAGRTMHTFHTEGAGGGHAPDIIKVAGEHNILPASTNPTIPFTVNTEAEHMDMLMVCHHLDKSIKEDVQFADSRIRPQTIAAEDTLHDMGIFSITSSDSQAMGRVGEVITRTWQTADKNKKEFGRLKEEKGDNDNFRIKRYLSKYTINPAIAHGISEYVGSVEVGKVADLVLWSPAFFGVKPNMIIKGGFIALSQMGDANASIPTPQPVYYREMFAHHGKAKYDANITFVSQAAYDKGIKEELGLERQVLPVKNCRNITKKDMQFNDTTAHIEVNPETYHVFVDGKEVTSKPANKVSLAQLFSIF
  
Inhibitor
Name:
BDBM50049400
Synonyms:
(+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-taxifolin | (2R,3R)-2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chroman-4-one | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one | 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chroman-4-one | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one | 3,5,7,3',4'-pentahydroxyflavanone | CHEMBL337309 | NSC-2801
Type:
Small organic molecule
Emp. Form.:
C15H12O7
Mol. Mass.:
304.2516
SMILES:
OC1C(=O)C(Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1
Structure:
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