Reaction Details Report a problem with these data
Target
Urease subunit alpha
Ligand
BDBM221060
Substrate
n/a
Meas. Tech.
In Vitro Urease Inhibition Assay
IC50
6.3090e+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:
BDBM221060
Synonyms:
7-(4-((4-((E)-3-(3,4,5-Trimetoxyphenylacryloyl)phenylcarbamoyl)methyl) piperazin-1-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-N-methyl-4-oxoquinoline-3-carboxamide (3e)
Type:
Small organic molecule
Emp. Form.:
C38H40FN5O7
Mol. Mass.:
697.7519
SMILES:
CNC(=O)c1cn(C2CC2)c2cc(N3CCN(CC(=O)Nc4ccc(cc4)C(=O)\C=C\c4cc(OC)c(OC)c(OC)c4)CC3)c(F)cc2c1=O
Structure:
Search PDB for entries with ligand similarity: