BDBM50193481 CID44414945::[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl {[(3R)-3-({2-[(2-{[4-({[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxyoxan-2-yl]methyl}carbamoyl)butyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropyl phosphonato]oxy}phosphonate::truncated aminoglycoside-coenzyme A bisubstrate analogue 1d

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)NCCSCCCCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O

InChI Key InChIKey=UNSOTFVGJHMPHG-RLJPULPSSA-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 = 50193481   

TargetGNAT family acetyltransferase(Enterococcus durans)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50193481(CID44414945 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...)
Affinity DataKi:  8.00E+3nMAssay Description:Inhibition of Enterococcus faecium AAC(6')IiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed