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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aminoglycoside acetyltransferase (Enterococcus durans) | BDBM50193475 ((3R)-3-{[2-({2-[({[(1S)-1-carbamoyl-4-[(diaminomet...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University Curated by ChEMBL | Assay Description Inhibition of Enterococcus faecium AAC(6')Ii | J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789 | |||||||||||
More data for this Ligand-Target Pair |