Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36281
Syringe Reactant:
BDBM197285
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
2016-10-23
ΔG°:
-6.12±0 (kcal/mole)
pH:
7.0000±0.0000
Log10Kb:
4.7
Temperature:
300.0000±0.0000 (K)
ΔH° :
-8.61±0.48 (kJ/mole)
ΔS° :
-0.01±1.91 (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:
BDBM36281
Synonyms:
BDBM197279 | cucurbit[7]uril
Type:
Molecular Host
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM197285
Synonyms:
SAMPL3, G8
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: