BDBM50193484 CID44414951::[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl {[(3R)-3-({2-[(2-{[({[(2R,3S,4R,5R,6S)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl}carbamoyl)methyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropyl phosphonato]oxy}phosphonate::truncated aminoglycoside-coenzyme A bisubstrate analogue 4a

SMILES CO[C@H]1O[C@H](CNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H](O)[C@H]1N

InChI Key InChIKey=LXXUSXYBRXVOBJ-IIDUUOIXSA-J

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50193484   

TargetGNAT family acetyltransferase(Enterococcus durans)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50193484(CID44414951 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...)
Affinity DataKi:  3.40nMAssay Description:Inhibition of Enterococcus faecium AAC(6')IiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed