Reaction Details Report a problem with these data
Target
2''-aminoglycoside nucleotidyltransferase
Ligand
BDBM50189108
Substrate
n/a
Meas. Tech.
In Vitro ANT(2")-Ia Pyrophosphatase Assay
Ki
6.0e+4± 1.8e+4 nM
Citation
 Cox, G; Sieron, A; King, AM; De Pascale, G; Pawlowski, AC; Koteva, K; Wright, GD A Common Platform for Antibiotic Dereplication and Adjuvant Discovery. Cell Chem Biol 24:98-109 (2017) [PubMed]  Article 
Target
Name:
2''-aminoglycoside nucleotidyltransferase
Synonyms:
AADB1_KLEPN | Aminoglycoside 2-O nucleotidyltransferase (ANT(2")-Ia) | aadB
Type:
Protein
Mol. Mass.:
19858.57
Organism:
Klebsiella pneumoniae
Description:
P0AE05
Residue:
177
Sequence:
MDTTQVTLIHKILAAADERNLPLWIGGGWAIDARLGRVTRKHDDIDLTFPGERRGELEAIVEMLGGRVMEELDYGFLAEIGDELLDCEPAWWADEAYEIAEAPQGSCPEAAEGVIAGRPVRCNSWEAIIWDYFYYADEVPPVDWPTKHIESYRLACTSLGAEKVEVLRAAFRSRYAA
  
Inhibitor
Name:
BDBM50189108
Synonyms:
CHEMBL380247 | GW574783B | N-(4-(benzyloxy)-3-chlorophenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine
Type:
Small organic molecule
Emp. Form.:
C29H27ClN4O4S
Mol. Mass.:
563.067
SMILES:
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2c1
Structure:
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