Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36281
Syringe Reactant:
BDBM197288
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
2016-10-24
ΔG°:
-9.81±0.1 (kcal/mole)
pH:
7.4000±0.0000
Log10Kb:
6.5
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:
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:
BDBM197288
Synonyms:
SAMPL5, CBC-G1 | SAMPL4, C1
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: