BDBM19477 btnOH-AMP::{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({5-[(4S)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentyl}oxy)phosphinic acid

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OCCCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O

InChI Key InChIKey=KBOGUFFJCBPJEH-PJAWMEARSA-N

Data  5 ITC

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 19477   

CellBirA Bifunctional Protein Mutant (V219A)(Escherichia coli)
University Of Maryland College Park

SyringePNGBDBM19477(btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)
ITC DataΔG°: -11.0kcal/mole −TΔS°: 2.30kcal/mole ΔH°: -13.3kcal/mole logk: 1.72E+8
pH: 7.5 T: 20.00°C 
CellBirA Bifunctional Protein(Escherichia coli)
University Of Maryland College Park

SyringePNGBDBM19477(btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)
ITC DataΔG°: -11.8kcal/mole −TΔS°: -2.09kcal/mole ΔH°: -9.88kcal/mole logk: 7.00E+8
pH: 7.5 T: 20.00°C 
CellBirA Bifunctional Protein Mutant (W223A)(Escherichia coli)
University Of Maryland College Park

SyringePNGBDBM19477(btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)
ITC DataΔG°: -9.98kcal/mole −TΔS°: -2.04kcal/mole ΔH°: -7.99kcal/mole logk: 2.60E+7
pH: 7.5 T: 20.00°C 
CellBirA Bifunctional Protein Mutant (V214A)(Escherichia coli)
University Of Maryland College Park

SyringePNGBDBM19477(btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)
ITC DataΔG°: -10.9kcal/mole −TΔS°: 2.19kcal/mole ΔH°: -13.1kcal/mole logk: 1.44E+8
pH: 7.5 T: 20.00°C 
CellBirA Bifunctional Protein(Escherichia coli)
University Of Maryland College Park

SyringePNGBDBM19477(btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)
ITC DataΔG°: -11.8kcal/mole −TΔS°: -1.90kcal/mole ΔH°: -9.88kcal/mole logk: 6.70E+8
pH: 7.5 T: 20.00°C