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BindingDB_​Target2Compounds

Workflow: Target2CompoundsDescription: This workflow starts with a UNIPROT anddesired affinity cutoff values, entered into seperate nodes. Then, a metanode queries the BindingDB RESTful API servicefor this UNIPROT. The resulting XML output is read,processed, and parsed for individual entities. Separatecolumns are created in the output for SMILES string(transformed to structure), monomerID, affinity types, andaffinity values. The collected results are stored in a table.Get Known Ligands of my TargetUNIPROTAffinity CutoffGet Ligandsby UNIPROT MarvinView String Input Double Input Workflow: Target2CompoundsDescription: This workflow starts with a UNIPROT anddesired affinity cutoff values, entered into seperate nodes. Then, a metanode queries the BindingDB RESTful API servicefor this UNIPROT. The resulting XML output is read,processed, and parsed for individual entities. Separatecolumns are created in the output for SMILES string(transformed to structure), monomerID, affinity types, andaffinity values. The collected results are stored in a table.Get Known Ligands of my TargetUNIPROTAffinity CutoffGet Ligandsby UNIPROT MarvinView String Input Double Input

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

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Created by: Preferred Customer
Created at: 2015-03-05
On NodePit since: 2019-07-12
Last update: 2024-04-23
Created with KNIME version: v3.4.2

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