BDBM50101702 Bisubstrate Analogue::[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-3-{[2-({2-[(2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl] phosphate

SMILES CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSCCC(=O)NCCc1c[nH]c2ccccc12

InChI Key InChIKey=YSFQYOZXYACIQA-UHFFFAOYSA-L

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 = 50101702   

TargetSerotonin N-acetyltransferase(Sheep)
Johns Hopkins University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50101702([5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy(...)
Affinity DataKi:  67nMAssay Description:Inhibition of serotonin N-acetyl-transferaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed