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Home > Targets > Kallikrein 6 Targeted Library
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Kallikrein 6 Targeted Library
Kallikrein 6 (KLK6, hK6, Bssp, Klk7, PRSS18, PRSS9, SP59, kallikrein related
peptidase 6) plays an important role in various physiological processes.
Disorders of KLK6 activity are observed at cancer and neurodegenerative
diseases, such as Alzheimer’s disease and multiple sclerosis. Therefore, small
molecule compounds modulating kallilrein 6 activity may have a significant
therapeutic potential.
OTAVAchemicals offers Kallikrein 6 Targeted Library (559 compounds in total). It
is a special screening collection containing drug-like compounds with predicted
inhibiting activity against KLK6. The library has been designed with two
receptor-based approaches – molecular docking and pharmacophore screening.
Six pharmacophore models with different combinations of pharmacophore features
and excluded volumes (defined on hydrogen atoms of the amino acid residues of
the substrate-binding site) were constructed using crystal of kallikrein 6 with
inhibitor (PDB ID: 3VFE). OTAVAchemicals drug-like compound Collection was
screened against these models and also docked in the same crystal structure.
Top-scored compounds resulted from pharmacophore screening were crossed with
top-scored compounds obtained with docking. Final selection of compounds has
been made with inspection of intermolecular hydrophobic contacts and hydrogen
bonds with key substrate-binding sites residues.
This library provides an excellent basis for drug discovery projects related
with kallikrein 6.
All compounds are in stock, cherry-picking is available.
The Kallikrein 6 Targeted Library (DB, SD, XLS, PDF format) as well as the
price-list is available on request. Feel free to contact us or use on-line form
below to send an inquiry if you are interested to obtain this library or if you
need more information.
Contact us
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