BDBM50129063 (2S)-hydroxy(phenyl)acetate::(S)-mandelate::(S)-mandelic acid

SMILES O[C@H](C([O-])=O)c1ccccc1

InChI Key InChIKey=IWYDHOAUDWTVEP-ZETCQYMHSA-M

Data  2 ITC

PDB links: 5 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 2 hits for monomerid = 50129063   

HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM50129063((2S)-hydroxy(phenyl)acetate | (S)-mandelate | (S)-...)
ITC DataΔG°: -2.25kcal/mole −TΔS°: -1.08kcal/mole ΔH°: -1.17kcal/mole logk: 44
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science And Technology Agency

GuestPNGBDBM50129063((2S)-hydroxy(phenyl)acetate | (S)-mandelate | (S)-...)
ITC DataΔG°: -1.29kcal/mole −TΔS°: -0.192kcal/mole ΔH°: -1.10kcal/mole logk: 9
pH: 6.9 T: 25.00°C 
In DepthDetails