BDBM50193485 (3R)-3-{[2-({2-[({[(5S)-5-acetamido-6-methoxy-6-oxohexyl]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::CID44414954::truncated aminoglycoside-coenzyme A bisubstrate analogue 4b

SMILES COC(=O)[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)NC(C)=O

InChI Key InChIKey=AOTYQCPDIOEGTC-PNPVFPMQSA-J

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50193485   

TargetGNAT family acetyltransferase(Enterococcus durans)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50193485((3R)-3-{[2-({2-[({[(5S)-5-acetamido-6-methoxy-6-ox...)
Affinity DataKi:  130nMAssay Description:Inhibition of Enterococcus faecium AAC(6')IiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed