InChI
1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H
SMILES string
Cl.NC(=N)c1ccccc1
InChI key
LZCZIHQBSCVGRD-UHFFFAOYSA-N
storage temp.
2-8°C
Quality Level
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
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
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
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)
Luca Mannocci et al.
Bioconjugate chemistry, 21(10), 1836-1841 (2010-09-03)
Collections of chemical compounds, individually attached to unique DNA fragments serving as amplifiable identification bar codes, are generally referred to as "DNA-encoded chemical libraries". Such libraries can be used for the de novo isolation of binding molecules against target proteins
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