BDBM84863 5'-Deoxy-5'-thiodenosine scaffold, 14a

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSCc2ccccc2)[C@@H](O)[C@H]1O

InChI Key InChIKey=DBQUNXDCOIKHGM-LSCFUAHRSA-N

Data  2 Kd  1 ITC

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 84863   

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

Curated by ChEMBL
LigandPNGBDBM84863(5'-Deoxy-5'-thiodenosine scaffold, 14a)
Affinity DataKd:  2.10E+5nMAssay Description:Binding affinity to Mycobacterium tuberculosis Pantothenate synthetaseMore data for this Ligand-Target Pair
TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University Of Ljubljana

Curated by ChEMBL
LigandPNGBDBM84863(5'-Deoxy-5'-thiodenosine scaffold, 14a)
Affinity DataKd:  2.10E+5nMpH: 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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 84863   

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

SyringePNGBDBM84863(5'-Deoxy-5'-thiodenosine scaffold, 14a)
ITC DataΔH°: -14.3kcal/mole
pH: 7.6 T: 25.00°C