Reaction Details Report a problem with these data
Target
Urease subunit beta
Ligand
BDBM50449762
Substrate
n/a
Meas. Tech.
ChEMBL_1740616 (CHEMBL4156366)
Ki
441±n/a nM
Citation
 Liu, Q; Shi, WK; Ren, SZ; Ni, WW; Li, WY; Chen, HM; Liu, P; Yuan, J; He, XS; Liu, JJ; Cao, P; Yang, PZ; Xiao, ZP; Zhu, HL Arylamino containing hydroxamic acids as potent urease inhibitors for the treatment of Helicobacter pylori infection. Eur J Med Chem 156:126-136 (2018) [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:
BDBM50449762
Synonyms:
CHEMBL4172924
Type:
Small organic molecule
Emp. Form.:
C9H10Cl2N2O2
Mol. Mass.:
249.094
SMILES:
ONC(=O)CCNc1ccc(Cl)cc1Cl
Structure:
Search PDB for entries with ligand similarity: