BDBM163674 AN2690-AMP

SMILES CC[C@H]1O[C@H]([C@H]2O[B-]3(OCc4cc(F)ccc34)OC12)n1cnc2c(N)ncnc12

InChI Key InChIKey=WTUJYZMKPXKECI-TZVUDSRHSA-N

Data  3 Kd  3 ITC

  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 -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 163674   

TargetLeucine--tRNA ligase(Candida albicans (Ascomycetes))
Ujf-Embl-Cnrs

LigandPNGBDBM163674(AN2690-AMP)
Affinity DataKd:  700nMpH: 8.0 T: 2°CAssay Description:ITC was performed using LeuRS CP1 domain wild-type, K510E mutant, or K510A mutant against AN2690-AMP at 25 C by an ITC200 system (MicroCal, GE Healt...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetLeucine--tRNA ligase [A132I,E138V,K510A,I952T](Candida albicans (Ascomycetes))
Ujf-Embl-Cnrs

LigandPNGBDBM163674(AN2690-AMP)
Affinity DataKd:  4.60E+4nMpH: 8.0 T: 2°CAssay Description:ITC was performed using LeuRS CP1 domain wild-type, K510E mutant, or K510A mutant against AN2690-AMP at 25 C by an ITC200 system (MicroCal, GE Healt...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetLeucine--tRNA ligase [A132I,E138V,K510E,I952T](Candida albicans (Ascomycetes))
Ujf-Embl-Cnrs

LigandPNGBDBM163674(AN2690-AMP)
Affinity DataKd:  2.10E+4nMpH: 8.0 T: 2°CAssay Description:ITC was performed using LeuRS CP1 domain wild-type, K510E mutant, or K510A mutant against AN2690-AMP at 25 C by an ITC200 system (MicroCal, GE Healt...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 3 hits for monomerid = 163674   

CellLeucyl-tRNA synthetase (LeuRS)(Candida albicans (Ascomycetes))
Ujf-Embl-Cnrs

SyringePNGBDBM163674(AN2690-AMP)
ITC DataΔG°: -8.36kcal/mole −TΔS°: 7.12kcal/mole ΔH°: -1.00kcal/mole logk: 1.36E+6
pH: 8.0 T: 25.00°C 
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
CellLeucyl-tRNA synthetase K510E mutant (K510E)(Candida albicans (Ascomycetes))
Ujf-Embl-Cnrs

SyringePNGBDBM163674(AN2690-AMP)
ITC DataΔG°: -6.45kcal/mole −TΔS°: 4.77kcal/mole ΔH°: -1.50kcal/mole logk: 5.38E+4
pH: 8.0 T: 25.00°C 
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
CellLeucyl-tRNA synthetase K510A mutant (K510A)(Candida albicans (Ascomycetes))
Ujf-Embl-Cnrs

SyringePNGBDBM163674(AN2690-AMP)
ITC DataΔG°: -5.97kcal/mole −TΔS°: 4.27kcal/mole ΔH°: -1.50kcal/mole logk: 2.40E+4
pH: 8.0 T: 25.00°C 
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed