BDBM197294 SAMPL4, C7

SMILES [NH3+]C1CCCCC1

InChI Key InChIKey=PAFZNILMFXTMIY-UHFFFAOYSA-O

Data  1 ITC

PDB links: 14 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 1 hit for monomerid = 197294   

HostPNGBDBM36281(BDBM197279 | cucurbit[7]uril)
University of California San Diego

GuestPNGBDBM197294(SAMPL4, C7)
ITC DataΔG°: -10.1kcal/mole logk: 2.40E+7
pH: 7.4 T: 24.85°C