Reaction Details Report a problem with these data
Target
Urease subunit beta
Ligand
BDBM50534770
Substrate
n/a
Meas. Tech.
ChEMBL_1929329 (CHEMBL4432505)
IC50
38000±n/a nM
Citation
 Macegoniuk, K; Grela, E; Palus, J; Rudzi?ska-Szostak, E; Grabowiecka, A; Biernat, M; Berlicki, ? 1,2-Benzisoselenazol-3(2H)-one Derivatives As a New Class of Bacterial Urease Inhibitors. J Med Chem 59:8125-33 (2016) [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:
BDBM50534770
Synonyms:
CHEMBL4552531 | acs.jmedchem.1c00409_ST.158
Type:
Small organic molecule
Emp. Form.:
C10H9NO3Se
Mol. Mass.:
270.14
SMILES:
[#8]-[#6](=O)-[#6]-[#6]-n1[se;v2]c2ccccc2c1=O
Structure:
Search PDB for entries with ligand similarity: