Reaction Details Report a problem with these data
Target
Urease subunit beta
Ligand
BDBM50498382
Substrate
n/a
Meas. Tech.
ChEMBL_1505976 (CHEMBL3595644)
IC50
620±n/a nM
Citation
 Xiao, ZP; Shi, WK; Wang, PF; Wei, W; Zeng, XT; Zhang, JR; Zhu, N; Peng, M; Peng, B; Lin, XY; Ouyang, H; Peng, XC; Wang, GC; Zhu, HL Synthesis and evaluation of N-analogs of 1,2-diarylethane as Helicobacter pylori urease inhibitors. Bioorg Med Chem 23:4508-4513 (2015) [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:
BDBM50498382
Synonyms:
CHEMBL3594250
Type:
Small organic molecule
Emp. Form.:
C13H12N2O4
Mol. Mass.:
260.2454
SMILES:
Oc1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1O
Structure:
Search PDB for entries with ligand similarity: