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About This Item
CAS Number:
NACRES:
NA.26
PubChem Substance ID:
UNSPSC Code:
12352202
MDL number:
Quality level:
storage temp.
2-8°C
Quality Level
SMILES string
Cl.NC(=N)c1ccccc1
InChI
1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H
InChI key
LZCZIHQBSCVGRD-UHFFFAOYSA-N
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
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Dian Jiao et al.
Journal of computational chemistry, 30(11), 1701-1711 (2009-04-29)
We have calculated the binding free energies of a series of benzamidine-like inhibitors to trypsin with a polarizable force field using both explicit and implicit solvent approaches. Free energy perturbation has been performed for the ligands in bulk water and
Ryan Walsh et al.
Integrative biology : quantitative biosciences from nano to macro, 3(12), 1197-1201 (2011-11-01)
Enzyme inhibitors are usually classified as competitive, non-competitive or mixed non-competitive. Each of these designations has a serious limitation in that it only describes an extreme of inhibitory behaviour. The non-competitive inhibition equation only considers an approach to complete inhibition
Ignasi Buch et al.
Proceedings of the National Academy of Sciences of the United States of America, 108(25), 10184-10189 (2011-06-08)
The understanding of protein-ligand binding is of critical importance for biomedical research, yet the process itself has been very difficult to study because of its intrinsically dynamic character. Here, we have been able to quantitatively reconstruct the complete binding process
Single-molecule approach to DNA minor-groove association dynamics.
Jorge Bordello et al.
Angewandte Chemie (International ed. in English), 51(30), 7541-7544 (2012-06-16)
Joseph Vamecq et al.
European journal of medicinal chemistry, 45(7), 3101-3110 (2010-04-30)
Five bis-benzamidines were screened towards murine magnesium deficiency-dependent audiogenic seizures, unravelling two compounds with efficacious doses 50 (ED(50)) less than 10mg/kg. They were also screened against maximal electroshock and subcutaneous pentylenetetrazole-induced seizures, and explored for superoxide -scavenging activity. 1,2-Ethane bis-1-amino-4-benzamidine
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