Journal: Nucleic Acids Research

Article Title: canSAR: an integrated cancer public translational research and drug discovery resource

doi: 10.1093/nar/gkr881

Figure Lengend Snippet: Identification of tool compounds for ABL1. Panel ( A ) shows the search results from a sequence similarity search of ABL1. Only homologues with percentage identities >50% are selected to increase the chance of finding an active against ABL1 itself. Panel ( B ) shows the chemical space of good affinity compounds against ABL1 and selected homologues. Panel ( C ) displays only sub micromolar affinity compound structures. A search instigated using these compounds allows identification of likely selectivity across homologues. Panel ( D ) shows the bioactivity profile of these compounds. Compound identifiers are on the y -axis and target names on the x-axis. A blue dot represents a measured compound bioactivity and the darker the dot the higher the affinity of the compound against the target. This profile can be used to indicate the selectivity of the compounds against measured targets.

Article Snippet: Molecular diversity can be obtained from the Bemis and Murcko frameworks, and cross reactivity can be visualized using the compound bioactivity profile plots ( D) Figure 4.

Techniques: Sequencing