Reaction Details Report a problem with these data
Target
Urease subunit alpha
Ligand
BDBM221066
Substrate
n/a
Meas. Tech.
In Vitro Urease Inhibition Assay
IC50
2.20e+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:
BDBM221066
Synonyms:
(S)-9-Fluoro-3,7-dihydro-N-hydroxy-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide (7)
Type:
Small organic molecule
Emp. Form.:
C18H21FN4O4
Mol. Mass.:
376.3821
SMILES:
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)NO)c3=O |r|
Structure:
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