Reaction Details  Report a problem with these data
Cell Reactant:
BDBM197287
Syringe Reactant:
BDBM50405318
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
2016-10-24
ΔG°:
-6.72±0.02 (kcal/mole)
pH:
9.2000±0.0000
Log10Kb:
3.6
Temperature:
298.0000±0.0000 (K)
Citation
 Muddana, HS; Fenley, AT; Mobley, DL; Gilson, MK The SAMPL4 host-guest blind prediction challenge: an overview. J Comput Aided Mol Des 28:305-17 (2014) [PubMed]  Article
Cell React
Name:
BDBM197287
Synonyms:
SAMPL4, OA
Type:
Molecular Host
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM50405318
Synonyms:
n/a
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: