Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36284
Syringe Reactant:
BDBM197286
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
2016-10-23
ΔG°:
-37.6000±0.0000 (kJ/mole)
pH:
7.0000±0.0000
Log10Kb:
4.6
Temperature:
300.0000±0.0000 (K)
ΔH° :
-18.0000±0.4000 (kJ/mole)
ΔS° :
0.0670±4.2000 (kJ/mole-K)
Citation
 Muddana, HS; Varnado, CD; Bielawski, CW; Urbach, AR; Isaacs, L; Geballe, MT; Gilson, MK Blind prediction of host-guest binding affinities: a new SAMPL3 challenge. J Comput Aided Mol Des 26:475-87 (2012) [PubMed]  Article
Cell React
Name:
BDBM36284
Synonyms:
SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[8]uril Complex (MV-CB[8]) | BDBM36310
Type:
Molecular Host
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM197286
Synonyms:
SAMPL3, G9
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: