Download Pharmacology
Click the Download icon to download an Excel .xlsx file with the following data if available:
- Ligand (CAS RN)
- Ligand SMILES
- Ligand InChl
- Target
- Known pAct
- Predicted pAct
- Confidence (score)
- Method List
Sort Data
You may apply ascending/descending sorting orders to each column in the ligand data table. In the example below, Predicted pAct values are sorted in descending order.
To apply a sort order, click a column's up/down arrow. Only column at a time may be sorted.
Method Column
In the data table's Method column, up to 5 circles representing a methodology may be shaded dark gray signifying they apply to the ligand.
From left to right, the methods are:
- MLM
- SAS
- SEA
- SIM
- XPI
Hovering the cursor over a circle displays the method name.
View Related Data
Click a ligand result's CAS Registry number to open the ligand window, where you can open the structure in CAS Draw, view the ligand detail, and view related data in CAS SciFinder.
Open Structure in CAS Draw
Click the Edit Structure button to open the structure in CAS Draw, where you edit the structure and start a new ligands or scaffolds search.
View in CAS SciFinder
Clicking the following options will open the relevant data from CAS SciFinder in a new tab:
- Get Reactions: Reaction results for the CAS Registry Number.
- Synthesize: Reaction results for the query "synthesis of [CAS Registry Number]"
- Get Retrosynthesis: Opens the Retrosynthesis Plan Options page.
- Get References: Reference results that have indexed the CAS Registry Number (appears in the results' Substances section).
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Get Suppliers: Supplier results for vendors offering the CAS Registry Number substance.
View Ligand Detail
Click the CAS Registry Number or Get Ligand Details to view the ligand detail page.