BDBM50193478 CID44415032::[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl {[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[({[2-(piperazin-1-yl)ethyl]carbamoyl}methyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propyl phosphonato]oxy}phosphonate::truncated aminoglycoside-coenzyme A bisubstrate analogue 4e

SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NCCN1CCNCC1

InChI Key InChIKey=LYZBNZJJPFRRNF-CECATXLMSA-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 = 50193478   

TargetGNAT family acetyltransferase(Enterococcus durans)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50193478(CID44415032 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...)
Affinity DataKi:  3.60nMAssay Description:Inhibition of Enterococcus faecium AAC(6')IiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed