Reaction Details Report a problem with these data
Target
Urease subunit alpha
Ligand
BDBM221067
Substrate
n/a
Meas. Tech.
In Vitro Urease Inhibition Assay
IC50
2.89e+3±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:
BDBM221067
Synonyms:
(S)-9-Fluoro-3,7-dihydro-N,3-dimethyl-10-(4-methylpiperazin-1-yl)-7-oxo-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide (8)
Type:
Small organic molecule
Emp. Form.:
C19H23FN4O3
Mol. Mass.:
374.4093
SMILES:
CNC(=O)c1cn2[C@@H](C)COc3c(N4CCN(C)CC4)c(F)cc(c23)c1=O |r|
Structure:
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