Fragment Libraries
BIONET 'Rule of Three' ('Ro3') Fragment Library:
The BIONET 'Ro3' Fragment Library contains 7,891 'Ro3'-compliant fragments suitable for fragment-based screening applications and further chemical elaboration. (Link to pdf imminent)
It has been established that 2,479 of these fragments are uniquely available through BIONET [1].
NEW! - BIONET Extended Fragment Library:
Researchers in the field agree that 'Ro3'-based fragment collections potentially omit compounds of interest due to the strict criteria imposed. The BIONET Extended Fragment Library comprises 4,439 fragments selected using less restrictive ADME filters, however only one of these softer filters is applied to any one fragment.
Examples:
Fragment profile A: MW 326, cLogP 2.8, Rtb 2, Hba 2, Hbd 2
Fragment profile B: MW 207, cLogP 1.1, Rtb 4, Hba 3, Hbd 1
There is no overlap between the BIONET Extended Fragment Library and the established BIONET 'Ro3' Library.
1,539 of these Extended Fragments are uniquely available through BIONET [1].
NEW! - BIONET Self-Assembly Fragment Library
A collection of 242 fragments, each possessing a reactive aldehyde functional group, enabling lead identification by fragment self-assembly.
Fragment self-assembly involves the use of reactive fragments that link together to form an active inhibitor in the presence of the protein target without covalent attachment of the protein to the inhibitor.
BIONET 'Ro3' Bromo Fragment Library:
This library contains 454 brominated fragments which allow for easier identification of the fragment bound in the active site of a target by X-ray crystallography. The brominated fragments also allow for rapid hit evolution.
BIONET 'Ro3' Fluoro Fragment Library:
This library contains 1,254 fluorinated fragments allowing for easier identification of the fragment bound in the active site of a target by the highly sensitive 19F-NMR technique.
BIONET Chiral Cyclic Fragment Library:
This library contains 19 compounds enabling drug discovery through chirality.
Rapid, cost-effective exploration of 3D chemical space is possible using these unique chiral compounds, biocatalytically prepared for unbeatable chemical and enantiomeric purity.
Click here for more information.
Stock Levels – Updated January 2012:
- 95% of BIONET Fragments are in stock ≥20mg
Re-supply for follow up work - Updated January 2012:
- 93% of BIONET Fragments in stock ≥ 100mg
- 82% of BIONET Fragments in stock ≥ 500mg
- 73% of BIONET Fragments in stock ≥ 1g
Quality
The standard minimum purity for BIONET Fragments >90%, with many exceeding 95%. Every compound is quality-assured by the in-house Analytical Department.
Service
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Database Download
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(1) Novelty searching and overlap with other supplier catalogues was carried out by importing the appropriate SDF file into MOE (CCG Inc) and then exporting into SQL server containing the ProtoDiscovery™ Compound Database [PCD]. The PCD contains over >15 million commercially available compounds, of which ~10 million have live supplier data. This database was last updated on Jan 2011.
[2] Hou, T.J., Xia, K., Zhang, W., Xu, X.J. (2004) ADME Evaluation in Drug Discovery. 4. Prediction of Aqueous Solubility based on Atom Contribution Approach J. Chem. Inf. Comput. Sci. 44:266-27