BDBM84864 5'-Deoxy-5'-thiodenosine scaffold, 14b

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSCc2cccc(c2)N(=O)=O)[C@@H](O)[C@H]1O

InChI Key InChIKey=UWYQTICCMFSWOE-LSCFUAHRSA-N

Data  1 Kd  1 ITC

  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 = 84864   

TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University Of Cambridge

LigandPNGBDBM84864(5'-Deoxy-5'-thiodenosine scaffold, 14b)
Affinity DataKd:  8.00E+4nMpH: 7.6 T: 2°CAssay Description:The dissociation constants and enthalpies was determined by isothermal titration calorimety.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 84864   

CellPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University Of Cambridge

SyringePNGBDBM84864(5'-Deoxy-5'-thiodenosine scaffold, 14b)
ITC DataΔH°: -4.54kcal/mole
pH: 7.6 T: 25.00°C 
In DepthDetails ArticlePubMed