BDBM50193475 (3R)-3-{[2-({2-[({[(1S)-1-carbamoyl-4-[(diaminomethylidene)amino]butyl]carbamoyl}methyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropyl ({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphonate::CID44415025::truncated aminoglycoside-coenzyme A bisubstrate analogue 4c

SMILES [#6]C([#6])([#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8-])([#8-])=O)-n1cnc2c(-[#7])ncnc12)[#6@@H](-[#8])-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O

InChI Key InChIKey=LEEQKMZOLILRRG-ZNTQWPALSA-J

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50193475   

TargetGNAT family acetyltransferase(Enterococcus durans)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50193475((3R)-3-{[2-({2-[({[(1S)-1-carbamoyl-4-[(diaminomet...)
Affinity DataKi:  1.20nMAssay Description:Inhibition of Enterococcus faecium AAC(6')IiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed