Reaction Details Report a problem with these data
Target
Urease subunit alpha
Ligand
BDBM221063
Substrate
n/a
Meas. Tech.
In Vitro Urease Inhibition Assay
IC50
2.08e+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:
BDBM221063
Synonyms:
7-(4-(3,4,5-Trimethoxy piperazin-1-yl))-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carbohydrazide (5c)
Type:
Small organic molecule
Emp. Form.:
C27H30FN5O6
Mol. Mass.:
539.5554
SMILES:
COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)c1cc2n(cc(C(=O)NN)c(=O)c2cc1F)C1CC1
Structure:
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