Reaction Details Report a problem with these data
Target
Urease subunit beta
Ligand
BDBM50602006
Substrate
n/a
Meas. Tech.
ChEMBL_2238961 (CHEMBL5152857)
Ki
1200±n/a nM
Citation
 Song, WQ; Liu, ML; Yuan, LC; Li, SY; Wang, YN; Xiao, ZP; Zhu, HL Synthesis, evaluation and mechanism exploration of 2-(N-(3-nitrophenyl)-N-phenylsulfonyl)aminoacetohydroxamic acids as novel urease inhibitors. Bioorg Med Chem Lett 78:0 (2022) [PubMed] 
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:
BDBM50602006
Synonyms:
CHEMBL5209436
Type:
Small organic molecule
Emp. Form.:
C14H12BrN3O6S
Mol. Mass.:
430.231
SMILES:
ONC(=O)CN(c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccc(Br)cc1
Structure:
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