Reaction Details Report a problem with these data
Target
Urease subunit alpha
Ligand
BDBM221055
Substrate
n/a
Meas. Tech.
In Vitro Urease Inhibition Assay
IC50
9.4925e+5±n/a nM
Citation
 Abdullah, MA; Abuo-Rahma, GE; Abdelhafez, EM; Hassan, HA; Abd El-Baky, RM Design, synthesis, molecular docking, anti-Proteus mirabilis and urease inhibition of new fluoroquinolone carboxylic acid derivatives. Bioorg Chem 70:1-11 (2017) [PubMed]  Article 
Target
Name:
Urease subunit alpha
Synonyms:
URE23_HELPY | Urease | hpuA | ureA
Type:
Enzyme
Mol. Mass.:
26545.30
Organism:
Helicobacter pylori
Description:
P14916
Residue:
238
Sequence:
MKLTPKELDKLMLHYAGELAKKRKEKGIKLNYVEAVALISAHIMEEARAGKKTAAELMQEGRTLLKPDDVMDGVASMIHEVGIEAMFPDGTKLVTVHTPIEANGKLVPGELFLKNEDITINEGKKAVSVKVKNVGDRPVQIGSHFHFFEVNRCLDFDREKTFGKRLDIASGTAVRFEPGEEKSVELIDIGGNRRIFGFNALVDRQADNESKKIALHRAKERGFHGAKSDDNYVKTIKE
  
Inhibitor
Name:
BDBM221055
Synonyms:
7-(4-((4-((E)-3-(3,4,5-Trimetoxyphenylacryloyl)phenylcarbamoyl)methyl) piperazin-1-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-N-hydroxy-4-oxoquinoline-3-carboxamide (2e)
Type:
Small organic molecule
Emp. Form.:
C37H38FN5O8
Mol. Mass.:
699.7247
SMILES:
COc1cc(\C=C\C(=O)c2ccc(NC(=O)CN3CCN(CC3)c3cc4n(cc(C(=O)NO)c(=O)c4cc3F)C3CC3)cc2)cc(OC)c1OC
Structure:
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