BDBM36159 (R)-(-)-2-pentanol

SMILES CCC[C@@H](C)O

InChI Key InChIKey=JYVLIDXNZAXMDK-RXMQYKEDSA-N

Data  2 ITC

PDB links: 1 PDB ID matches 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 = 36159   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36159((R)-(-)-2-pentanol)
ITC DataΔG°: -2.08kcal/mole −TΔS°: -2.99kcal/mole ΔH°: 0.884kcal/mole logk: 33
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36159((R)-(-)-2-pentanol)
ITC DataΔG°: -2.87kcal/mole −TΔS°: 0.812kcal/mole ΔH°: -3.68kcal/mole logk: 126
pH: 6.9 T: 25.00°C 
In DepthDetails Article